N-Methyl-1-phenylpropan-2-amine (Methamphetamine) by Asch

Reaxys

PubChem

eMolecules

Reactions (368)

Substances (168)

Structure

Citations (3449)

Structure/Compound Data Chemical Name: methamphetamin Reaxys Registry Number: 1072499

CAS Registry Number: 7632-10-2 Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C6H5CH2CH(NHCH3)CH3

Molecular Weight: 149.236

InChI Key: MYWUZJCMWCOHBA-UHFFFAOYSA-N

N° of preparations All Preps | All Reactions

Available Data

N° of ref.

60 prep out of 139 reactions.

Identification Physical Data (50) Spectra (31) Bioactivity (108) Other Data (15)

1289

55 prep out of 101 reactions.

Identification Physical Data (46) Spectra (32) Bioactivity (283) Other Data (72)

640

Synthesize | Show Details Find similar Chemical Name: Methamphetamin Reaxys Registry Number: 2207147

CAS Registry Number: 537-46-2 Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H15N Molecular Weight: 149.236

InChI Key: MYWUZJCMWCOHBA-VIFPVBQESA-N

Synthesize | Show Details Find similar

Chemical Name: (R)-2-methylamino-1-phenylpropane Reaxys Registry Number: 3081879

CAS Registry Number: 33817-09-3 Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H15N Molecular Weight: 149.236

InChI Key: MYWUZJCMWCOHBA-SECBINFHSA-N

40 prep out of 59 reactions.

Identification Physical Data (21) Spectra (13) Bioactivity (47) Other Data (3)

1 prep out of 1 reactions.

Identification Physical Data (1) Bioactivity (3)

Synthesize | Show Details Find similar Chemical Name: (+)-N-methylamphetamine Reaxys Registry Number: 5248384

CAS Registry Number: 537-46-2, 4846-07-5, 7632-10-2, 33817-09-3 Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H15N Molecular Weight: 149.236

InChI Key: MYWUZJCMWCOHBA-UHFFFAOYSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms (+)-N-methylamphetamine, (+)-methamphetamine, d-Methamphetamine, (+)-2-methylamino-1-phenyl-propane Identification Substance Label (3) Label

Reference

(+)-13

Malmusi, Luca; Dukat, Malgorzata; Young, Richard; Teitler, Milt; Darmani, Nissar A.; Ahmad, Bashir; Smith, Carol; Glennon, Richard A.

Medicinal Chemistry Research, 1996 , vol. 6, # 6 p. 400 - 411 Title/Abstract Full Text View citing articles Show Details

(+)-II/III

Acs, Maria; Kozma, David; Fogassy, Elemer

ACH - Models in Chemistry, 1995 , vol. 132, # 3 p. 475 - 478 Title/Abstract Full Text Show Details

Drabowicz, Jozef; Legedz, Slawomir; Mikolajczik, Marian

Tetrahedron, 1988 , vol. 44, # 16 p. 5243 - 5252 Title/Abstract Full Text View citing articles Show Details

Derivative (1) Comment (Derivative)

Reference

By formation of salt/complex with dilituric acid. Additional data: optical crystallographic properties

Julian; Plein

Journal of Pharmaceutical Sciences, 1981 , vol. 70, # 6 p. 704 - 707 Title/Abstract Full Text View citing articles Show Details

Purification (1) Purification (method)

Reference

via salt with sodium-hydrogen-R,R-tartrate

Acs, Maria; Kozma, David; Fogassy, Elemer

ACH - Models in Chemistry, 1995 , vol. 132, # 3 p. 475 - 478 Title/Abstract Full Text Show Details

Physical Data Optical Rotatory Power (1) Type (Optical Rotatory Power)

Solvent (Optical Rotatory Power)

Optical Rotatory Power

Wavelength (Optical Rotatory Power)

[alpha]

neat (no solvent)

3.32 deg

589 nm

Reference Drabowicz, Jozef; Legedz, Slawomir; Mikolajczik, Marian

Tetrahedron, 1988 , vol. 44, # 16 p. 5243 - 5252 Title/Abstract Full Text View citing articles Show Details

Bioactivity Pharmacological Data (3) 1 of 3

2 of 3

3 of 3

Comment (Pharmacological Data)

Bioactivities present

Reference

Drabowicz, Jozef; Legedz, Slawomir; Mikolajczik, Marian

Tetrahedron, 1988 , vol. 44, # 16 p. 5243 - 5252 Title/Abstract Full Text View citing articles Show Details

Kaufmann; Hofmann; Kreiskott

Arzneimittel-Forschung/Drug Research, 1981 , vol. 31, # 2 p. 335 - 337 Title/Abstract Full Text View citing articles Show Details

Julian; Plein

Journal of Pharmaceutical Sciences, 1981 , vol. 70, # 6 p. 704 - 707 Title/Abstract Full Text View citing articles Show Details

Acs, Maria; Kozma, David; Fogassy, Elemer

ACH - Models in Chemistry, 1995 , vol. 132, # 3 p. 475 - 478 Title/Abstract Full Text Show Details

Malmusi, Luca; Dukat, Malgorzata; Young, Richard; Teitler, Milt; Darmani, Nissar A.; Ahmad, Bashir; Smith, Carol; Glennon, Richard A.

Medicinal Chemistry Research, 1996 , vol. 6, # 6 p. 400 - 411 Title/Abstract Full Text View citing articles Show Details

Effect (Pharmacological Data)

locomotor stimulant

Species or TestSystem (Pharmacological Data)

albino ICR mice

Sex

male and female

Route of Application

intraperitoneal

Concentration (Pharmacological Data)

0.5 - 2 mg/kg

Kind of Dosing (Pharmacological Data)

0.5, 1.0, and 2.0 mg/kg

Exposure Period (Pharmacological Data)

10 - 40 min

Method (Pharmacological Data)

mouse weight 25-30 g; acclimated for 30 min before treatment; experiments performed between 8.00 and 17.00 h; multiple doses; locomotor activity measured as distance traversed (in cm), recorded by computerized video tracking behavior recognition system

Results

dose-related increase in locomotor stimulation, 2 mg/kg produced 625 percent increase over saline-treated controls

Reference

Malmusi, Luca; Dukat, Malgorzata; Young, Richard; Teitler, Milt; Darmani, Nissar A.; Ahmad, Bashir; Smith, Carol; Glennon, Richard A.

Medicinal Chemistry Research, 1996 , vol. 6, # 6 p. 400 - 411 Title/Abstract Full Text View citing articles Show Details

Comment (Pharmacological Data)

anorexigenic effect; reduces food intake from 9 to 0 g/h (0.5 - 2 mg/kg, rat)

Reference

Kaufmann; Hofmann; Kreiskott

Arzneimittel-Forschung/Drug Research, 1981 , vol. 31, # 2 p. 335 - 337 Title/Abstract Full Text View citing articles Show Details

Chemical Name: methamphetamine

no reactions.

Reaxys Registry Number: 6269621

Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H15N Molecular Weight: 149.236

InChI Key: MYWUZJCMWCOHBA-UHFFFAOYSA-N

Physical Data (4) Bioactivity (3)

Synthesize | Hide Details Find similar Chemical Names and Synonyms methamphetamine, Methamphetamin Physical Data Dissociation Exponent (1) Type (Dissociation Exponent)

Reference

b1/apparent

Muller

Pharmazie, 1983 , vol. 38, # 9 p. 596 - 597 Title/Abstract Full Text View citing articles Show Details

Electrochemical Behaviour (1) Description (Electrochemical Behaviour)

Reference

Electrolytic dissociation / protonation equilibrium

Muller

Pharmazie, 1983 , vol. 38, # 9 p. 596 - 597 Title/Abstract Full Text View citing articles Show Details

Liquid/Liquid Systems (MCS) (2) Description (Liquid/Liquid Systems (MCS))

Partner (Liquid/Liquid Systems (MCS))

Reference

Distribution between solvent 1 + 2

1) aqueous buffer solution 2) ether

Muller

Pharmazie, 1983 , vol. 38, # 9 p. 596 - 597 Title/Abstract Full Text View citing articles Show Details

Distribution between solvent 1 + 2

1) aqueous buffer solution 2) CHCl3

Muller

Pharmazie, 1983 , vol. 38, # 9 p. 596 - 597 Title/Abstract Full Text View citing articles Show Details

Bioactivity Pharmacological Data (3) 1 of 3

Comment (Pharmacological Data)

Bioactivities present

Reference

Wollweber; Hiltman; Stoepel; Kroneberg

European Journal of Medicinal Chemistry, 1980 , vol. 15, # 2 p. 111 - 117 Title/Abstract Full Text View citing articles Show Details

Bekemeier; Wenzel

Pharmazie, 1989 , vol. 44, # 11 p. 781 - 783 Title/Abstract Full Text View citing articles Show Details

Teschendorf; Kretzschmar; Kreiskott; Weifenbach

Arzneimittel-Forschung/Drug Research, 1981 , vol. 31, # 9 A p. 1580 - 1588 Title/Abstract Full Text View citing articles Show Details

Muller

Pharmazie, 1983 , vol. 38, # 9 p. 596 - 597 Title/Abstract Full Text View citing articles Show Details

Little; Rees

Journal of Pharmacy and Pharmacology, 1980 , vol. 32, # 11 p. 751 - 756 Title/Abstract Full Text View citing articles Show Details

Testa; Salvesen

Journal of Pharmaceutical Sciences, 1980 , vol. 69, # 5 p. 497 - 501 Title/Abstract Full Text View citing articles Show Details

Comai; Sullivan

Journal of Pharmaceutical Sciences, 1982 , vol. 71, # 4 p. 418 - 421 Title/Abstract Full Text View citing articles Show Details

Kita, Taizo; Philbert, Martin A.; Wagner, George C.; Huang, Jian; Lowndes, Herbert E.

Pharmacology and Toxicology, 1998 , vol. 83, # 1 p. 36 - 39 Title/Abstract Full Text View citing articles Show Details

Seager

Journal of Pharmacy and Pharmacology, 1998 , vol. 50, # 4 p. 375 - 382 Title/Abstract Full Text View citing articles Show Details

Nakahara, Yuji; Kikura, Ruri

Archives of Toxicology, 1996 , vol. 70, # 12 p. 841 - 849 Title/Abstract Full Text View citing articles Show Details

Grigor'eva; Vorotyntsev; Konakhovich; Mokhort; Kirichek

Pharmaceutical Chemistry Journal, 1997 , vol. 31, # 4 p. 170 - 172 Title/Abstract Full Text View citing articles Show Details

Nakahara, Yuji; Kikura, Ruri

Biological and Pharmaceutical Bulletin, 1997 , vol. 20, # 9 p. 969 - 972 Title/Abstract Full Text View citing articles Show Details

Sekine; Nagao; Nakahara

Xenobiotica, 1995 , vol. 25, # 1 p. 49 - 58 Title/Abstract Full Text View citing articles Show Details

Kita, Taizo; Takahashi, Masahiro; Kubo, Kaoru; Wagner, George C.; Nakashima, Toshikatsu

Pharmacology and Toxicology, 1999 , vol. 85, # 3 p. 133 - 137 Title/Abstract Full Text View citing articles Show Details

Fleckenstein, Annette E.; Metzger, Ryan R.; Wilkins, Diana G.; Gibb, James W.; Hanson, Glen R.

Journal of Pharmacology and Experimental Therapeutics, 1997 , vol. 282, # 2 p. 834 - 838 Title/Abstract Full Text View citing articles Show Details

Jozwiak, Krzysztof; Ravichandran, Sarangan; Collins, Jack R.; Wainer, Irving W.

Journal of Medicinal Chemistry, 2004 , vol. 47, # 16 p. 4008 - 4021 Title/Abstract Full Text View citing articles Show Details

Partilla, John S.; Dempsey, Allison G.; Nagpal, Ameet S.; Blough, Bruce E.; Baumann, Michael H.; Rothman, Richard B.

Journal of Pharmacology and Experimental Therapeutics, 2006 , vol. 319, # 1 p. 237 - 246 Title/Abstract Full Text View citing articles Show Details

Mendelson, John; Uemura, Naoto; Harris, Debra; Nath, Rajneesh P.; Fernandez, Emilio; Jacob III, Peyton; Everhart, E. Thomas; Jones, Reese T.

Clinical Pharmacology and Therapeutics, 2006 , vol. 80, # 4 p. 403 - 420 Title/Abstract Full Text View citing articles Show Details

Banks, Matthew L.; Blough, Bruce E.; Negus, S. Stevens

Behavioural Pharmacology, 2011 , vol. 22, # 8 p. 824 - 836 Title/Abstract Full Text View citing articles Show Details

D'Almeida; Camarini; Azzalis; Mattei; Junqueira; Carlini

Toxicology Letters, 1995 , vol. 81, # 2-3 p. 101 - 105 Title/Abstract Full Text Show Details

2 of 3

Comment (Pharmacological Data)

Bioactivities present

Reference

Roberts; Harbison; Westhouse; James

Toxicology Letters, 1995 , vol. 76, # 1 p. 77 - 83 Title/Abstract Full Text Show Details

Chu; Nordeen; Hardy; Swanson; Giardina; Pernet; Plattner

Journal of Medicinal Chemistry, 1991 , vol. 34, # 1 p. 168 - 174 Title/Abstract Full Text Show Details

PIKULEVA, Irina, A.; MAST, Natalia, V.

Patent: WO2008/153722 A1, 2008 ; Title/Abstract Full Text Show Details

3 of 3

Comment (Pharmacological Data)

mortality after 2h, 4h and 24 h (female NMRI mice, 21.5 mg/kg p.o.): 5/10, 8/10, 9/10 (in groups); 0/10, 0/10, 1/10 (single)

Reference

Teschendorf; Kretzschmar; Kreiskott; Weifenbach

Arzneimittel-Forschung/Drug Research, 1981 , vol. 31, # 9 A p. 1580 - 1588 Title/Abstract Full Text View citing articles Show Details

Reaxys Registry Number: 7410286

Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H15N Molecular Weight: 149.236

InChI Key: MYWUZJCMWCOHBA-UHFFFAOYSA-N

1 prep out of 1 reactions.

Identification

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Identification Substance Label (1) Label

Reference

(-)-II/III

Acs, Maria; Kozma, David; Fogassy, Elemer

ACH - Models in Chemistry, 1995 , vol. 132, # 3 p. 475 - 478 Title/Abstract Full Text Show Details

Purification (1) Purification (method)

Reference

via salt with sodium-hydrogen-R,R-tartrate

Acs, Maria; Kozma, David; Fogassy, Elemer

ACH - Models in Chemistry, 1995 , vol. 132, # 3 p. 475 - 478 Title/Abstract Full Text Show Details

Chemical Name: L-methamphetamine

no reactions.

Reaxys Registry Number: 9387147

Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H15N Molecular Weight: 149.236

InChI Key: MYWUZJCMWCOHBA-UHFFFAOYSA-N 7

Synthesize | Hide Details Find similar Chemical Names and Synonyms L-methamphetamine Identification Substance Label (1) Label

Reference

L-MAMP

Siu, Eric C. K.; Tyndale, Rachel F.

Journal of Pharmacology and Experimental Therapeutics, 2008 , vol. 324, # 3 p. 992 - 999 Title/Abstract Full Text View citing articles Show Details

Bioactivity Pharmacological Data (5) 1 of 5

2 of 5

Comment (Pharmacological Data)

Bioactivities present

Reference

Siu, Eric C. K.; Tyndale, Rachel F.

Journal of Pharmacology and Experimental Therapeutics, 2008 , vol. 324, # 3 p. 992 - 999 Title/Abstract Full Text View citing articles Show Details

Effect (Pharmacological Data)

nicotine metabolism, examination of

Species or TestSystem (Pharmacological Data)

CYP2A6 of mouse

Identification Bioactivity (5)

3 of 5

4 of 5

5 of 5

Concentration (Pharmacological Data)

10 - 100 μmol/l

Method (Pharmacological Data)

CYP2A6 (20 pM P450/ml plus reductase and cc b5) incubated (15 min, 37 deg C) with mixture, containing title comp., 1 mM NADPH and 100 μM nicotine; reaction stopped with 4percent Na2CO3; samples prepared and analyzed for nicotine and metabolites by HPLC

Further Details (Pharmacological Data)

control: vehicle; internal control: 70 μg 5-methylcotinine; cotinine: product of nicotine oxidation; HPLC: high performance liquid chromatography; limits of quantification: 5 ng/ml for nicotine and 12.5 ng/ml for cotinine; cc: cytochrome

Comment (Pharmacological Data)

No effect

Reference

Siu, Eric C. K.; Tyndale, Rachel F.

Journal of Pharmacology and Experimental Therapeutics, 2008 , vol. 324, # 3 p. 992 - 999 Title/Abstract Full Text View citing articles Show Details

Effect (Pharmacological Data)

nicotine metabolism, inhibition of

Species or TestSystem (Pharmacological Data)

CYP2A5 of mouse

Concentration (Pharmacological Data)

10 - 100 μmol/l

Method (Pharmacological Data)

CYP2A5 (60 pM P450/ml, reductase and cc b5) incubated (15 min, 37 deg C) with mixture, containing title comp., 1 mM NADPH and 60 μM nicotine; reaction stopped with 4percent Na2CO3; samples prepared and analyzed for nicotine and metabolites by HPLC system

Further Details (Pharmacological Data)

control: vehicle; internal control: 70 μg 5-methylcotinine; cotinine: product of nicotine C-oxidation; HPLC: high performance liquid chromatography; limits of quantification: 5 ng/ml for nicotine and 12.5 ng/ml for cotinine; cc: cytochrome

Results

title comp. dose-dep. inhibited nicotine metabolism (formation of cotinine) of CYP2A5; at 100 μM title comp.inhibited nicotine metabolism by ca. 45percent; fig.

Reference

Siu, Eric C. K.; Tyndale, Rachel F.

Journal of Pharmacology and Experimental Therapeutics, 2008 , vol. 324, # 3 p. 992 - 999 Title/Abstract Full Text View citing articles Show Details

Effect (Pharmacological Data)

nicotine metabolism, inhibition of

Species or TestSystem (Pharmacological Data)

liver microsomes of DBA/2 mouse

Concentration (Pharmacological Data)

10 - 100 μmol/l

Method (Pharmacological Data)

MLMs (0.5 mg/ml protein) incubated for 15 min at 37 deg C with mixture, containing title comp., 1 mM NADPH and 10 μM nicotine; reaction stopped with 4percent Na2CO3; then samples prepared and analyzed for nicotine and metabolites by HPLC system

Further Details (Pharmacological Data)

control: vehicle; internal control: 5-methylcotinine; MLMs: mouse liver microsomes; cotinine: product of nicotine C-oxidation; HPLC: high performance liquid chromatography; limits of quantification: 5 ng/ml for nicotine and 12.5 ng/ml for cotinine

Results

title comp. dose-dep. inhibited nicotine metabolism (formation of cotinine); at 100 μM inhibition was ca. 45percent; fig.

Reference

Siu, Eric C. K.; Tyndale, Rachel F.

Journal of Pharmacology and Experimental Therapeutics, 2008 , vol. 324, # 3 p. 992 - 999 Title/Abstract Full Text View citing articles Show Details

Effect (Pharmacological Data)

nicotine metabolism, examination of

Species or TestSystem (Pharmacological Data)

liver microsomes of human

Concentration (Pharmacological Data)

10 - 100 μmol/l

Method (Pharmacological Data)

HLMs (0.5 mg/ml protein) incubated for 20 min at 37 deg C with mixture, containing title comp., 1 mM NADPH and 20 μM nicotine; reaction stopped with 4percent Na2CO3; then samples prepared and analyzed for nicotine and metabolites by HPLC system

Further Details (Pharmacological Data)

control: vehicle; internal control: 5-methylcotinine; HLMs: human liver microsomes; cotinine: product of nicotine C-oxidation; HPLC: high performance liquid chromatography; limits of quantification: 5 ng/ml for nicotine and 12.5 ng/ml for cotinine

Comment (Pharmacological Data)

No effect

Reference

Siu, Eric C. K.; Tyndale, Rachel F.

Journal of Pharmacology and Experimental Therapeutics, 2008 , vol. 324, # 3 p. 992 - 999 Title/Abstract Full Text View citing articles Show Details

Chemical Name: (1R,2S)-2-(Methylamino)-1-deuterio-1-phenylpropane

2 prep out of 2 reactions.

Reaxys Registry Number: 6920257

Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H14DN Molecular Weight: 150.228

InChI Key: MYWUZJCMWCOHBA-KENKBMNRSA-N

Identification Physical Data (2) Spectra (6)

Synthesize | Hide Details Find similar Chemical Names and Synonyms (1R,2S)-2-(Methylamino)-1-deuterio-1-phenylpropane Identification Substance Label (1) Label

Reference

12b

Almena, Juan; Foubelo, Francisco; Yus, Miguel

Journal of Organic Chemistry, 1994 , vol. 59, # 11 p. 3210 - 3215 Title/Abstract Full Text View citing articles Show Details

Physical Data Boiling Point (1) Boiling Point

Pressure (Boiling Point)

Reference

37 - 41 °C

0.1 Torr

Almena, Juan; Foubelo, Francisco; Yus, Miguel

Journal of Organic Chemistry, 1994 , vol. 59, # 11 p. 3210 - 3215 Title/Abstract Full Text View citing articles Show Details

Optical Rotatory Power (1) Type (Optical Rotatory Power)

Concentration (Optical Rotatory Power)

Solvent (Optical Rotatory Power)

Optical Rotatory Power

Wavelength (Optical Rotatory Power)

Temperature (Optical Rotatory Power)

[alpha]

2.07 g/100ml

CH2Cl2

2.61 deg

589 nm

25 °C

Spectra NMR Spectroscopy (4)

Reference Almena, Juan; Foubelo, Francisco; Yus, Miguel

Journal of Organic Chemistry, 1994 , vol. 59, # 11 p. 3210 - 3215 Title/Abstract Full Text View citing articles Show Details

Description (NMR Spectroscopy)

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

Comment (NMR Spectroscopy)

Chemical shifts

CDCl3

Almena, Juan; Foubelo, Francisco; Yus, Miguel

Journal of Organic Chemistry, 1994 , vol. 59, # 11 p. 3210 - 3215 Title/Abstract Full Text View citing articles Show Details

Chemical shifts

13C

CDCl3

Almena, Juan; Foubelo, Francisco; Yus, Miguel

Journal of Organic Chemistry, 1994 , vol. 59, # 11 p. 3210 - 3215 Title/Abstract Full Text View citing articles Show Details

Reference

Spin-spin coupling constants

CDCl3

1H-1H

Almena, Juan; Foubelo, Francisco; Yus, Miguel

Journal of Organic Chemistry, 1994 , vol. 59, # 11 p. 3210 - 3215 Title/Abstract Full Text View citing articles Show Details

Spin-spin coupling constants

CDCl3

2D-13C.

Almena, Juan; Foubelo, Francisco; Yus, Miguel

Journal of Organic Chemistry, 1994 , vol. 59, # 11 p. 3210 - 3215 Title/Abstract Full Text View citing articles Show Details

IR Spectroscopy (1) Description (IR Spectroscopy)

Solvent (IR Spectroscopy)

Comment (IR Spectroscopy)

Reference

Bands

neat (no solvent)

3300 cm**(-1)

Almena, Juan; Foubelo, Francisco; Yus, Miguel

Journal of Organic Chemistry, 1994 , vol. 59, # 11 p. 3210 - 3215 Title/Abstract Full Text View citing articles Show Details

Mass Spectrometry (1) Description (Mass Spectrometry)

Reference

spectrum

Almena, Juan; Foubelo, Francisco; Yus, Miguel

Journal of Organic Chemistry, 1994 , vol. 59, # 11 p. 3210 - 3215 Title/Abstract Full Text View citing articles Show Details

Chemical Name: D, methamphetamine

no reactions.

3 prep out of 10 reactions.

Reaxys Registry Number: 29823490

Molecular Formula: C10H15N Linear Structure Formula: C10H14(2)HN

Molecular Weight: 150.228

InChI Key: MYWUZJCMWCOHBA-VMNATFBRSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms D, methamphetamine, methamphetamine-D Reaxys Registry Number: 3943810

Type of Substance: isocyclic Molecular Formula: C10H15N*H Linear Structure Formula: C10H15N*H(1+)

Molecular Weight: 150.244

InChI Key: MYWUZJCMWCOHBA-UHFFFAOYSA-O

Synthesize Find similar Reaxys Registry Number: 26132956

Molecular Formula: C10H15N*H Linear Structure Formula: C10H15N*H(1+)

no reactions.

Bioactivity (1)

no reactions.

Bioactivity (1)

Molecular Weight: 150.244

InChI Key: MYWUZJCMWCOHBA-SECBINFHSA-O

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Bioactivity Pharmacological Data (1) 1 of 1

Comment (Pharmacological Data)

Bioactivities present

Reference

Magyar; Palfi; Tabi; Kalasz; Szende; Szoeko

Current Medicinal Chemistry, 2004 , vol. 11, # 15 p. 2017 - 2031 Title/Abstract Full Text View citing articles Show Details

Reaxys Registry Number: 26132957

CAS Registry Number: 1551249-69-4 Molecular Formula: C10H15N*H Linear Structure Formula: C10H15N*H(1+)

Molecular Weight: 150.244

InChI Key: MYWUZJCMWCOHBA-VIFPVBQESA-O

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Bioactivity Pharmacological Data (1) 1 of 1

Comment (Pharmacological Data)

Bioactivities present

Magyar; Palfi; Tabi; Kalasz; Szende; Szoeko

Current Medicinal Chemistry, 2004 , vol. 11, # 15 p. 2017 - 2031 Title/Abstract Full Text View citing articles Show Details

Reference

Chemical Name: (13)C,(15)N-methamphetamine Reaxys Registry Number: 12690028

Molecular Formula: C10H15N Linear Structure Formula: C9(13)CH15(15)N

1 prep out of 1 reactions.

Identification

1 prep out of 1 reactions.

Molecular Weight: 151.218

InChI Key: MYWUZJCMWCOHBA-OMUUITEASA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms (13)C,(15)N-methamphetamine Identification Substance Label (1) Label

Reference

a-19

DR PHARMA NOVA, LLC

Patent: WO2006/91885 A2, 2006 ; Title/Abstract Full Text Show Details

Patent-Specific Data (1) Related Markush Structure (RN)

Reference

12690024

DR PHARMA NOVA, LLC

Patent: WO2006/91885 A2, 2006 ; Title/Abstract Full Text Show Details

Chemical Name: S-(+)-[2H2]methamphetamine Reaxys Registry Number: 9758471

Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H13D2N Molecular Weight: 151.22

InChI Key: MYWUZJCMWCOHBA-FPCJZCRGSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms S-(+)-[2H2]methamphetamine Chemical Name: d-methamphetamine-d3

Reaxys Registry Number: 9758470

Type of Substance: isocyclic Molecular Formula: C H N

10 15

Linear Structure Formula: C10H12D3N Molecular Weight: 152.212

InChI Key: MYWUZJCMWCOHBA-XYFUXNRQSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms d-methamphetamine-d3, S-(+)-[2H3]methamphetamine Chemical Name: (R)-N-d3-methyl-1-phenylpropan-2-amine

1 prep out of 2 reactions.

Reaxys Registry Number: 20920682

CAS Registry Number: 1254494-15-9 Molecular Formula: C10H15N Linear Structure Formula: C10H12(2)H3N

Physical Data (1) Spectra (2)

Molecular Weight: 152.212

InChI Key: MYWUZJCMWCOHBA-NNKNZJFPSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms (R)-N-d3-methyl-1-phenylpropan-2-amine Physical Data Crystal Property Description (1) Colour & Other Properties

Location

Reference

colorless

Page/Page column 11

AUSPEX PHARMACEUTICALS, INC.

Patent: US2010/286124 A1, 2010 ; Title/Abstract Full Text Show Details

Spectra NMR Spectroscopy (1) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Original Text (NMR Spectroscopy)

Location

1H-NMR

Page/Page column 11

(CDCl3): δ1.05 (d, J=6.9 Hz, 3H), 1.40 (br s, 1H), 2.61

(m, 1H), 2.70 (m, 1H), 2.78 (m, 1H), 7.10-7.32 (m, 5H)

Comment (NMR Spectroscopy) Signals given

Reference AUSPEX PHARMACEUTICALS, INC.

Patent: US2010/286124 A1, 2010 ; Title/Abstract Full Text Show Details

Mass Spectrometry (1) Location

Reference

AUSPEX PHARMACEUTICALS, INC.

Patent: US2010/286124 A1, 2010 ;

Page/Page column 11

Title/Abstract Full Text Show Details

Chemical Name: (S)-[2',6'-(3)H2]methamphetamine Reaxys Registry Number: 20382968

CAS Registry Number: 1207183-39-8 Molecular Formula: C10H15N Linear Structure Formula: C10H13(3)H2N

1 prep out of 1 reactions.

1 prep out of 2 reactions.

Identification Physical Data (1) Spectra (2)

Molecular Weight: 153.22

InChI Key: MYWUZJCMWCOHBA-CJTMEMAZSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms (S)-[2',6'-(3)H2]methamphetamine Chemical Name: 1-phenyl-2-methyl-d3-aminopropane-1,2-d2 Reaxys Registry Number: 2975553

CAS Registry Number: 60124-88-1 Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H10D5N Molecular Weight: 154.196

InChI Key: MYWUZJCMWCOHBA-CXVYKYTNSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms 1-phenyl-2-methyl-d3-aminopropane-1,2-d2, methamphetamine-D5, Methamphetamine-d5 Identification Substance Label (1) Label

Reference

Fentiman; Foltz

Journal of Labelled Compounds and Radiopharmaceuticals, 1976 , vol. 12, p. 69,74 Full Text Show Details

Derivative (1)

Comment (Derivative)

Reference

Hydrochlorid; F: 133-134grad

Fentiman; Foltz

Journal of Labelled Compounds and Radiopharmaceuticals, 1976 , vol. 12, p. 69,74 Full Text Show Details

Physical Data Chromatographic Data (1) Chromatographic data

Reference

Fedorova, Ganna; Randak, Tomas; Lindberg, Richard H.; Grabic, Roman

Rapid Communications in Mass Spectrometry, 2013 , vol. 27, # 15 p. 1751 - 1762 Title/Abstract Full Text View citing articles Show Details

LC (Liquid chromatography)

Spectra Mass Spectrometry (2) Description (Mass Spectrometry)

Reference

tandem mass spectrometry electrospray ionisation (ESI) high resolution mass spectrometry (HRMS) spectrum

Fedorova, Ganna; Randak, Tomas; Lindberg, Richard H.; Grabic, Roman

Rapid Communications in Mass Spectrometry, 2013 , vol. 27, # 15 p. 1751 - 1762 Title/Abstract Full Text View citing articles Show Details

electrospray ionisation (ESI) high resolution mass spectrometry (HRMS) spectrum

Fedorova, Ganna; Randak, Tomas; Lindberg, Richard H.; Grabic, Roman

Rapid Communications in Mass Spectrometry, 2013 , vol. 27, # 15 p. 1751 - 1762 Title/Abstract Full Text View citing articles Show Details

Chemical Name: methamphetamine-d5

no reactions.

Identification Spectra (1)

Reaxys Registry Number: 30060469

Molecular Formula: C10H15N Linear Structure Formula: C10H10(2)H5N

Molecular Weight: 154.196

InChI Key: MYWUZJCMWCOHBA-FIJCCKCHSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms methamphetamine-d5

Identification Substance Label (1) Label

Reference

MAd5

Earla, Ravinder; Kumar, Santosh; Wang, Lei; Bosinger, Steven; Li, Junhao; Shah, Ankit; Gangwani, Mohitkumar; Nookala, Anantha; Liu, Xun; Cao, Lu; Jackson, Austin; Silverstein, Peter S.; Fox, Howard S.; Li, Weihua; Kumar, Anil

Drug Metabolism and Disposition, 2014 , vol. 42, # 12 p. 2097 - 2108 Title/Abstract Full Text Show Details

Spectra Mass Spectrometry (1) Description (Mass Spectrometry) electrospray ionisation (ESI) liquid chromatography mass spectrometry (LCMS) tandem mass spectrometry spectrum

Location

Reference

supporting information

Drug Metabolism and Disposition, 2014 , vol. 42, # 12 p. 2097 - 2108 Title/Abstract Full Text Show Details

Chemical Name: methamphetamine-D5 Reaxys Registry Number: 30195335

Molecular Formula: C10H15N Linear Structure Formula: C10H10(2)H5N

no reactions.

Molecular Weight: 154.196

InChI Key: MYWUZJCMWCOHBA-QIYJHHKOSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms methamphetamine-D5 Chemical Name: methamphetamine-d5

no reactions.

Spectra (1)

Reaxys Registry Number: 30549854

Molecular Formula: C10H15N Linear Structure Formula: C10H10(2)H5N

Molecular Weight: 154.196

InChI Key: MYWUZJCMWCOHBA-DKFMXDSJSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms methamphetamine-d5 Spectra Mass Spectrometry (1) Description (Mass Spectrometry) electrospray ionisation (ESI) spectrum

Reference Paíga, Paula; Rodrigues, Manuela J.E.; Correia, Manuela; Amaral, Joana S.; Oliveira, M. Beatriz P.P.; Delerue-Matos, Cristina

European Journal of Pharmaceutical Sciences, 2017 , vol. 99, p. 219 - 227 Title/Abstract Full Text Show Details

Chemical Name: DL-[13C6]-methamphetamine Reaxys Registry Number: 26969029

Molecular Formula: C10H15N Linear Structure Formula: C4(13)C6H15N

Molecular Weight: 155.17

InChI Key: MYWUZJCMWCOHBA-RKQYQYHUSA-N

Synthesize | Hide Details Find similar

1 prep out of 2 reactions.

Identification

Chemical Names and Synonyms DL-[13C6]-methamphetamine Identification Patent-Specific Data (1) Related Markush Structure (RN)

Reference

30665511

CHIRON AS; Johansen, Jon Eigill; Liu, Huiling; Karlsen, Morten

Patent: US9435816 B2, 2016 ; Title/Abstract Full Text Show Details

Chemical Name: 1-phenyl-2-methylaminopropane-1,1,2,3,3,3-d6 Reaxys Registry Number: 7532918

Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H9D6N Molecular Weight: 155.188

InChI Key: MYWUZJCMWCOHBA-KLJQIKPOSA-N

0 prep out of 2 reactions.

no reactions.

Synthesize | Hide Details Find similar Chemical Names and Synonyms 1-phenyl-2-methylaminopropane-1,1,2,3,3,3-d6 Chemical Name: 1-phenyl-2-methyl-d3-aminopropane-1,2,3,3,3-d5 Reaxys Registry Number: 7535408

Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H7D8N Molecular Weight: 157.172

InChI Key: MYWUZJCMWCOHBA-URFKORASSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms 1-phenyl-2-methyl-d3-aminopropane-1,2,3,3,3-d5 Chemical Name: methamphetamine-D9

Reaxys Registry Number: 30638606

Molecular Formula: C10H15N Linear Structure Formula: C10H6(2)H9N

Molecular Weight: 158.164

InChI Key: MYWUZJCMWCOHBA-FUUWYYHRSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms methamphetamine-D9

Chemical Name: 1-phenyl-d5-2-methyl-d3-aminopropane-3,3,3-d3 Reaxys Registry Number: 7539213

Type of Substance: isocyclic Molecular Formula: C10H15N Linear Structure Formula: C10H4D11N Molecular Weight: 160.148

InChI Key: MYWUZJCMWCOHBA-JFZRXOORSA-N

0 prep out of 2 reactions.

no reactions.

Synthesize | Hide Details Find similar Chemical Names and Synonyms 1-phenyl-d5-2-methyl-d3-aminopropane-3,3,3-d3 Chemical Name: methane ice Reaxys Registry Number: 30156167

Molecular Formula: CH4*C10H15N Linear Structure Formula: CH4*C10H15N Molecular Weight: 165.279

InChI Key: JPKWQXJAZOTHAQ-FVGYRXGTSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms methane ice Chemical Name: ammonia ice Reaxys Registry Number: 30204741

Molecular Formula: C10H15N*H3N Linear Structure Formula: C10H15N*H3N Molecular Weight: 166.266

InChI Key: YJWVKGVRRKFJIZ-FVGYRXGTSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms ammonia ice

Chemical Name: (2S)-N-methyl-1-phenylpropan-2-amine hydrate Reaxys Registry Number: 13191660

Molecular Formula: C10H15N*H2O Linear Structure Formula: C10H15N*H2O Molecular Weight: 167.251

InChI Key: JEPOEABJTIMMHD-FVGYRXGTSA-N

1 prep out of 8 reactions.

1251

no reactions.

Identification Bioactivity (3)

Synthesize | Hide Details Find similar Chemical Names and Synonyms (2S)-N-methyl-1-phenylpropan-2-amine hydrate, ice+water, ice +water, Ice water, Ice H2O Chemical Name: sodium salt of methamphetamine Reaxys Registry Number: 8164135

Type of Substance: isocyclic Molecular Formula: C10H14N*Na Linear Structure Formula: C10H14N(1-)*Na(1+)

Molecular Weight: 171.218

InChI Key: DOEOAPQAINWNIB-UHFFFAOYSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms sodium salt of methamphetamine Identification Substance Label (1) Label

Reference

MNa

Grigor'eva; Vorotyntsev; Konakhovich; Mokhort; Kirichek

Pharmaceutical Chemistry Journal, 1997 , vol. 31, # 4 p. 170 - 172 Title/Abstract Full Text View citing articles Show Details

Bioactivity Pharmacological Data (3) 1 of 3

2 of 3

Comment (Pharmacological Data)

Bioactivities present

Reference

Grigor'eva; Vorotyntsev; Konakhovich; Mokhort; Kirichek

Pharmaceutical Chemistry Journal, 1997 , vol. 31, # 4 p. 170 - 172 Title/Abstract Full Text View citing articles Show Details

Effect (Pharmacological Data)

analgesic, other

Species or TestSystem (Pharmacological Data)

white Wistar rat

Sex

male and female

3 of 3

Route of Application

epicutaneous

Concentration (Pharmacological Data)

18 mg/kg

Kind of Dosing (Pharmacological Data)

test comp. appl. as a paste

Exposure Period (Pharmacological Data)

24 h

Method (Pharmacological Data)

rats weigh. 180-220 g; edema induced by burning of hind paws (60 deg C for 5 sec); decrease in pain sensitivity threshold of inflammed extremities

Further Details (Pharmacological Data)

test comp. applied onto burned surface 2 h after thermal irritation when edema reached 210-215 percent of initial paw volume

Results

23.8-48.1 percent reduction of pain sensitivity threshold

Reference

Grigor'eva; Vorotyntsev; Konakhovich; Mokhort; Kirichek

Pharmaceutical Chemistry Journal, 1997 , vol. 31, # 4 p. 170 - 172 Title/Abstract Full Text View citing articles Show Details

Effect (Pharmacological Data)

antiinflammatory

Species or TestSystem (Pharmacological Data)

white Wistar rat

Sex

male and female

Route of Application

epicutaneous

Concentration (Pharmacological Data)

18 mg/kg

Kind of Dosing (Pharmacological Data)

test comp. appl. as a paste

Exposure Period (Pharmacological Data)

24 h

Method (Pharmacological Data)

rats weigh. 180-220 g; edema induced by burning of hind paws (60 deg C for 5 sec)

Further Details (Pharmacological Data)

test comp. applied onto burned surface 2 h after thermal irritation when edema reached 210-215 percent of initial paw volume

Results

13.5-39.3 percent edema inhibition

Reference

Grigor'eva; Vorotyntsev; Konakhovich; Mokhort; Kirichek

Pharmaceutical Chemistry Journal, 1997 , vol. 31, # 4 p. 170 - 172 Title/Abstract Full Text View citing articles Show Details

Chemical Name: carbon monoxide ice Reaxys Registry Number: 30636987

Molecular Formula: CO*C10H15N Linear Structure Formula: CO*C10H15N Molecular Weight: 177.246

InChI Key: VAQJAOMKVIEPJH-FVGYRXGTSA-N

Synthesize | Hide Details

no reactions.

Find similar Chemical Names and Synonyms carbon monoxide ice Chemical Name: ethylene ice

no reactions.

Reaxys Registry Number: 30842693

Molecular Formula: C2H4*C10H15N Linear Structure Formula: C2H4*C10H15N Molecular Weight: 177.29

InChI Key: VMFZMCDVULWGCK-FVGYRXGTSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms ethylene ice Chemical Name: aluminum ice Reaxys Registry Number: 30842761

Molecular Formula: AlH3*C10H15N Linear Structure Formula: AlH3*C10H15N Molecular Weight: 179.241

InChI Key: QZEOTIOXDXGEKT-ZWACTXNCSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms aluminum ice Chemical Name: formaldehyde ice Reaxys Registry Number: 30786718

Molecular Formula: CH2O*C10H15N Linear Structure Formula: CH2O*C10H15N Molecular Weight: 179.262

InChI Key: SZXXRURPJQVWLY-FVGYRXGTSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms formaldehyde ice Chemical Name:

ethane ice Reaxys Registry Number: 30159202

Molecular Formula: C2H6*C10H15N Linear Structure Formula: C2H6*C10H15N Molecular Weight: 179.305

InChI Key: RFIMPHSGLJKTCZ-FVGYRXGTSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms ethane ice Chemical Name: ice methanol

no reactions.

Bioactivity (1)

Reaxys Registry Number: 29866147

Molecular Formula: CH4O*C10H15N Linear Structure Formula: CH4O*C10H15N Molecular Weight: 181.278

InChI Key: IKIQMUFOYPAWCN-FVGYRXGTSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms ice methanol, methanol ice Chemical Name: (-)-Metamphetamine phosphate Reaxys Registry Number: 24296479

Molecular Formula: C10H15N*0H3O4P Linear Structure Formula: C10H15N*0.33H3O4P Molecular Weight: 181.574

InChI Key: LERYZJIMAXSLFC-SBSPUUFOSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms (-)-Metamphetamine phosphate Bioactivity Pharmacological Data (1) 1 of 1

Comment (Pharmacological Data)

Bioactivities present

Reference

Campbell; Patil; LaPidus; Campbell; Tye

Title/Abstract Full Text Show Details

LaPidus; Patil; LaPidus; Tye

Title/Abstract Full Text Show Details

Chemical Name: methamphetamine hydroxylamine

no reactions.

2 prep out of 6 reactions.

Identification Physical Data (21) Spectra (7) Bioactivity (40) Other Data (2)

Reaxys Registry Number: 30249430

Molecular Formula: C10H15N*H3NO Linear Structure Formula: C10H15N*H3NO Molecular Weight: 182.266

InChI Key: QSHWSGSYMIEDMV-UHFFFAOYSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms methamphetamine hydroxylamine Chemical Name: ammonia hydrate ice Reaxys Registry Number: 30428298

Molecular Formula: C10H15N*H2O*H3N Linear Structure Formula: C10H15N*H2O*H3N Molecular Weight: 184.282

InChI Key: XFSDUYCHTDEMIL-WWPIYYJJSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms ammonia hydrate ice Chemical Name: D-methamphetamine hydrochloride Reaxys Registry Number: 4155698

CAS Registry Number: 300-42-5 Type of Substance: isocyclic Molecular Formula: C10H15N*ClH Linear Structure Formula: C10H15N*HCl Molecular Weight: 185.697

InChI Key: TWXDDNPPQUTEOV-UHFFFAOYSA-N

Synthesize | Hide Details Find similar Chemical Names and Synonyms D-methamphetamine hydrochloride, d-Methamphetamine hydrochloride, Amphedroxyn, methamphetamine hydrochloride, (+/-)-methamphetamine hydrochloride, (+)-methamphetamine hydrochloride, (+-)-methyl-(1-methyl-2-phenyl-ethyl)-amine; hydrochloride

Identification Substance Label (4) Label

Reference

METH

Johnson-Davis, Kamisha L.; Truong, Jannine G.; Fleckenstein, Annette E.; Wilkins, Diana G.

Journal of Pharmacology and Experimental Therapeutics, 2004 , vol. 309, # 2 p. 578 - 586 Title/Abstract Full Text View citing articles Show Details

Sandoval, Veronica; RIddle, Evan L.; Hanson, Glen R.; Fleckenstein, Annette E.

Journal of Pharmacology and Experimental Therapeutics, 2003 , vol. 304, # 3 p. 1181 - 1187 Title/Abstract Full Text View citing articles Show Details

Johnson-Davis, Kamisha L.; Fleckenstein, Annette E.; Wilkins, Diana G.

European Journal of Pharmacology, 2003 , vol. 482, # 1-3 p. 151 - 154 Title/Abstract Full Text View citing articles Show Details

Horner, Kristen A.; Westwood, Scot C.; Hanson, Glen R.; Keefe, Kristen A.

Journal of Pharmacology and Experimental Therapeutics, 2006 , vol. 319, # 1 p. 414 - 421 Title/Abstract Full Text View citing articles Show Details

Brown, Jeffrey M.; Riddle, Evan L.; Sandoval, Veronica; Weston, Raul K.; Hanson, Jarom E.; Crosby, Michael J.; Ugarte, Yvette V.; Gibb, James W.; Hanson, Glen R.; Fleckenstein, Annette E.

Journal of Pharmacology and Experimental Therapeutics, 2002 , vol. 302, # 2 p. 497 - 501 Title/Abstract Full Text View citing articles Show Details

Rau, Kristi S.; Birdsall, Elisabeth; Volz, Trent J.; Riordan, James A.; Baucum II, Anthony J.; Adair, Brian P.; Bitter, Rebecca; Gibb, James W.; Hanson, Glen R.; Fleckenstein, Annette E.

Journal of Pharmacology and Experimental Therapeutics, 2006 , vol. 318, # 2 p. 676 - 682 Title/Abstract Full Text View citing articles Show Details

Botanas, Chrislean Jun; Yoon, Seong Shoon; de la Peña, June Bryan; dela Peña, Irene Joy; Kim, Mikyung; Woo, Taeseon; Seo, Joung-Wook; Jang, Choon-Gon; Park, Kyung-Tae; Lee, Young Hun; Lee, Yong Sup; Kim, Hee Jin; Cheong, Jae Hoon

Pharmacology Biochemistry and Behavior, 2017 , vol. 153, p. 160 - 167 Title/Abstract Full Text Show Details

MPA*HCl

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

Meth

Danaceau, Jonathan P.; Deering, Cassandra E.; Day, Jayme E.; Smeal, Stacy J.; Johnson-Davis, Kamisha L.; Fleckenstein, Annette E.; Wilkins, Diana G.

European Journal of Pharmacology, 2007 , vol. 559, # 1 p. 46 - 54 Title/Abstract Full Text View citing articles Show Details

MAHCl

Sekine; Nagao; Nakahara

Xenobiotica, 1995 , vol. 25, # 1 p. 49 - 58 Title/Abstract Full Text View citing articles Show Details

Patent-Specific Data (1) Location in Patent

Reference

Claim

Alza Corporation

Patent: US3968245 A1, 1976 ; Title/Abstract Full Text Show Details

Men, Tewa; Men, Yangyang

Patent: EP1232748 A1, 2002 ; Title/Abstract Full Text Show Details

Nippon Shinyaju Co., Ltd.

Patent: US5811547 A1, 1998 ; Title/Abstract Full Text Show Details

Cascade Development, Inc.

Patent: US6312728 B1, 2001 ; Title/Abstract Full Text Show Details

Cascade Development, Inc. a subsidiary of Cardinal Health, Inc.

Patent: US5968554 A1, 1999 ; Title/Abstract Full Text Show Details

General Mills, Inc.

Patent: US2002/44968 A1, 2002 ; Title/Abstract Full Text Show Details

Alza Corporation

Patent: US5023088 A1, 1991 ; Title/Abstract Full Text Show Details

Physical Data Melting Point (6)

Melting Point

Solvent (Melting Point)

Reference

129 - 134 °C

de Sarlo,F. et al.

Tetrahedron, 1966 , vol. 22, p. 2989 - 2994 Full Text View citing articles Show Details

135 - 136 °C

acetone

Nishimura; Takamatsu

Yakugaku Zasshi, 1964 , vol. 84, p. 938,943 Chem.Abstr., 1965 , vol. 62, # 2731 Full Text Show Details

134 - 135 °C

Shiho

Nippon Kagaku Kaishi, 1944 , vol. 65, p. 237 Chem.Abstr., 1947 , p. 3800 Full Text Show Details

135 - 136 °C

ethanol diethyl ether

Woodruff; Lambooy; Burt

Journal of the American Chemical Society, 1940 , vol. 62, p. 922 Full Text View citing articles Show Details

133 - 135 °C

ethanol diethyl ether

Novelli

Anales de la Asociacion Quimica Argentina (1921-2001), 1939 , vol. 27, p. 162,164 Chem.Abstr., 1940 , p. 1695 Full Text Show Details

134 - 135 °C

ethanol

Ogata

Yakugaku Zasshi, 1919 , # 451 p. 751 Chem.Abstr., 1920 , vol. 14, p. 745 Full Text Show Details

Adsorption (MCS) (1) Description (Adsorption (MCS))

Reference

Adsorption isotherm

Sengling; Guth

Journal of Pharmaceutical Sciences, 1961 , vol. 50, p. 929 Full Text View citing articles Show Details

Association (MCS) (11) Partner (Association (MCS))

Solvent (Association (MCS))

Comment (Association (MCS))

Formation constant of a complex

2,4,6-trinitrotoluene

CHCl3

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

Formation constant of a complex

2,3-dicyano-5,6-dichloro-pbenzoquinone

CHCl3

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

Formation constant of a complex

bromocresol green

CHCl3

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

Formation constant of a complex

chlorophenol red

CHCl3

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

Formation constant of a complex

bromcresol purple

CHCl3

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

UV/VIS spectrum of the complex

2,4,6-trinitrotoluene

CHCl3

concentration dependence

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular

Description (Association (MCS))

Reference

Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

UV/VIS spectrum of the complex

2,3-dicyano-5,6-dichloro-pbenzoquinone

CHCl3

concentration dependence

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

UV/VIS spectrum of the complex

bromocresol green

CHCl3

concentration dependence

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

UV/VIS spectrum of the complex

chlorophenol red

CHCl3

concentration dependence

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

UV/VIS spectrum of the complex

bromcresol purple

CHCl3

concentration dependence

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

Further physical properties of the complex

3,7-dihydro-1,3,7-trimethyl-1H-purine2,6-dione; sodium benzoate

solid

Tsuchihashi; Katagi; Nishikawa; Tatsuno; Nishioka; Nara; Nishio; Petty

Applied Spectroscopy, 1997 , vol. 51, # 12 p. 1796 - 1799 Title/Abstract Full Text View citing articles Show Details

Crystal Property Description (2) Colour & Other Properties

Reference

white

Kunalan, Vanitha; Daeid, Niamh Nic; Kerr, William J.; Buchanan, Hilary A. S.; McPherson, Allan R.

Analytical Chemistry, 2009 , vol. 81, # 17 p. 7342 - 7348 Title/Abstract Full Text View citing articles Show Details

Tafeln

Ogata

Yakugaku Zasshi, 1919 , # 451 p. 751 Chem.Abstr., 1920 , vol. 14, p. 745 Full Text Show Details

Optics (1) Description (Optics)

Reference

Crystal refractive indices

Keenan

Journal of the American Pharmaceutical Association (1912-1977), 1949 , vol. 38, p. 314 Chem.Abstr., 1949 , p. 8611 Full Text Show Details

Spectra NMR Spectroscopy (2) Description (NMR Spectroscopy)

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

Frequency (NMR Spectroscopy)

Chemical shifts

water-d2

400 MHz

Kunalan, Vanitha; Daeid, Niamh Nic; Kerr, William J.; Buchanan, Hilary A. S.; McPherson, Allan R.

Analytical Chemistry, 2009 , vol. 81, # 17 p. 7342 - 7348 Title/Abstract Full Text View citing articles Show Details

Chemical shifts

13C

water-d2

100 MHz

Kunalan, Vanitha; Daeid, Niamh Nic; Kerr, William J.; Buchanan, Hilary A. S.; McPherson, Allan R.

Analytical Chemistry, 2009 , vol. 81, # 17 p. 7342 - 7348 Title/Abstract Full Text View citing articles Show Details

IR Spectroscopy (2) Description (IR Spectroscopy)

Solvent (IR Spectroscopy)

Comment (IR Spectroscopy)

Reference

Bands

potassium bromide

Kunalan, Vanitha; Daeid, Niamh Nic; Kerr, William J.; Buchanan, Hilary A. S.; McPherson, Allan R.

Analytical Chemistry, 2009 , vol. 81, # 17 p. 7342 - 7348 Title/Abstract Full Text View citing articles Show Details

Spectrum

3500 - 500 cm**(-1)

Tsuchihashi; Katagi; Nishikawa; Tatsuno; Nishioka; Nara; Nishio; Petty

Applied Spectroscopy, 1997 , vol. 51, # 12 p. 1796 - 1799 Title/Abstract Full Text View citing articles Show Details

UV/VIS Spectroscopy (1) Description (UV/VIS Spectroscopy)

Solvent (UV/VIS Spectroscopy)

Spectrum

CHCl3

Reference Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 69, # 4 p. 1195 - 1200 Title/Abstract Full Text View citing articles Show Details

Raman Spectroscopy (2) Description (Raman Spectroscopy)

Comment (Raman Spectroscopy)

Reference

Spectrum

H2O

Tsuchihashi; Katagi; Nishikawa; Tatsuno; Nishioka; Nara; Nishio; Petty

Applied Spectroscopy, 1997 , vol. 51, # 12 p. 1796 - 1799 Title/Abstract Full Text View citing articles Show Details

Spectrum

neat (no solvent, solid phase)

Tsuchihashi; Katagi; Nishikawa; Tatsuno; Nishioka; Nara; Nishio; Petty

Applied Spectroscopy, 1997 , vol. 51, # 12 p. 1796 - 1799 Title/Abstract Full Text View citing articles Show Details

Bioactivity Pharmacological Data (40) 1 of 40

Comment (Pharmacological Data)

Bioactivities present

Reference

Alza Corporation

Patent: US3968245 A1, 1976 ; Title/Abstract Full Text Show Details

Men, Tewa; Men, Yangyang

Patent: EP1232748 A1, 2002 ; Title/Abstract Full Text Show Details

de Sarlo,F. et al.

Tetrahedron, 1966 , vol. 22, p. 2989 - 2994 Full Text View citing articles Show Details

Nippon Shinyaju Co., Ltd.

Patent: US5811547 A1, 1998 ; Title/Abstract Full Text Show Details

Cascade Development, Inc.

Patent: US6312728 B1, 2001 ; Title/Abstract Full Text Show Details

Cascade Development, Inc. a subsidiary of Cardinal Health, Inc.

Patent: US5968554 A1, 1999 ; Title/Abstract Full Text Show Details

General Mills, Inc.

Patent: US2002/44968 A1, 2002 ; Title/Abstract Full Text Show Details

Luk, Andrew Sheung-King; Lam, Stan; Zhang, Yuanpeng

Patent: US2005/118206 A1, 2005 ; Title/Abstract Full Text Show Details

Novelli

Anales de la Asociacion Quimica Argentina (1921-2001), 1939 , vol. 27, p. 162,164 Chem.Abstr., 1940 , p. 1695 Full Text Show Details

Keenan

Journal of the American Pharmaceutical Association (1912-1977), 1949 , vol. 38, p. 314 Chem.Abstr., 1949 , p. 8611 Full Text Show Details

Ogata

Yakugaku Zasshi, 1919 , # 451 p. 751 Chem.Abstr., 1920 , vol. 14, p. 745 Full Text Show Details

Shiho

Nippon Kagaku Kaishi, 1944 , vol. 65, p. 237 Chem.Abstr., 1947 , p. 3800 Full Text Show Details

Woodruff; Lambooy; Burt

Journal of the American Chemical Society, 1940 , vol. 62, p. 922 Full Text View citing articles Show Details

Nishimura; Takamatsu

Yakugaku Zasshi, 1964 , vol. 84, p. 938,943 Chem.Abstr., 1965 , vol. 62, # 2731 Full Text Show Details

Sengling; Guth

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