Reaxys
PubChem
eMolecules
Reactions (10)
Substances (6)
Structure
Citations (38)
Structure/Compound Data Chemical Name: 2,5-dimethoxy-4-ethylamphetamine Reaxys Registry Number: 2108126
CAS Registry Number: 22004-32-6 Type of Substance: isocyclic Molecular Formula: C13H21NO2
Linear Structure Formula: C13H21NO2
Molecular Weight: 223.315
InChI Key: HXJKWPGVENNMCC-UHFFFAOYSA-N
1
N° of preparations All Preps | All Reactions
Available Data
N° of ref.
6 prep out of 6 reactions.
Identification Physical Data (4) Bioactivity (8)
32
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2,5-dimethoxy-4-ethylamphetamine, DOET, 2,5-dimethoxy-4-ethylphenylisopropylamine, 4-Ethyl-2,5-dimethoxyamphetamine, 2,5-Dimethoxy-4ethyl-α-methyl-phenylethylamin, 4-Ethyl-2,5-dimethoxyphenylisopropylamin, 2.5-Dimethoxy-4-aethylamphetamin Identification Substance Label (9) Label
Reference
DOET
Burrai, Lucia; Nieddu, Maria; Pirisi, Maria Antonietta; Carta, Antonio; Briguglio, Irene; Boatto, Gianpiero
Chirality, 2013 , vol. 25, # 10 p. 617 - 621 Title/Abstract Full Text View citing articles Show Details
9; DOEt
Parker, Matthew A.; Kurrasch, Deborah M.; Nichols, David E.
Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 8 p. 4661 - 4669 Title/Abstract Full Text View citing articles Show Details
1j
Seggel; Yousif; Lyon; Titeler; Roth; Suba; Glennon
Journal of Medicinal Chemistry, 1990 , vol. 33, # 3 p. 1032 - 1036 Title/Abstract Full Text View citing articles Show Details
(+/-)-DOEt
Gomez-Jeria, Juan Sebastian; Cassels, Bruce K.; Saavedra-Aguilar, Juan Carlos
European Journal of Medicinal Chemistry, 1987 , vol. 22, p. 433 - 438 Title/Abstract Full Text View citing articles Show Details
(+/-)-5
Glennon; Young; Benington; Morin
Journal of Medicinal Chemistry, 1982 , vol. 25, # 10 p. 1163 - 1168 Title/Abstract Full Text View citing articles Show Details
38
Glennon; Liebowitz; Anderson III
Journal of Medicinal Chemistry, 1980 , vol. 23, # 3 p. 294 - 299 Title/Abstract Full Text View citing articles Show Details
s.Tab.
Morin et al.
Experientia, 1975 , vol. 31, p. 93 Full Text View citing articles Show Details
11 (Table I)
Barfknecht et al.
Journal of Medicinal Chemistry, 1975 , vol. 18, p. 208,209 Full Text Show Details
6c
Shulgin; Dyer
Journal of Medicinal Chemistry, 1975 , vol. 18, # 12 p. 1201 - 1204 Title/Abstract Full Text View citing articles Show Details
Patent-Specific Data (1) Prophetic Compound
Related Markush Structure (RN)
Reference
prophetic product
11337200
Caron, Marc G.; Sotnikova, Tatyana D.; Gainetdinov, Raul R.
Patent: US2007/27208 A1, 2007 ; Title/Abstract Full Text Show Details
Derivative (2) Comment (Derivative)
Reference
Hydrochlorid: F: 192-193grad
Morin et al.
Experientia, 1975 , vol. 31, p. 93 Full Text View citing articles Show Details
HCl-Salz, F: 195grad
Dow Chemical Co.
Patent: GB1147739 , 1966 ; Chem.Abstr., 1969 , vol. 71, # 12781j Full Text Show Details
Physical Data Melting Point (1) Melting Point
Reference
61 - 61.5 °C
Dow Chemical Co.
Patent: GB1147739 , 1966 ; Chem.Abstr., 1969 , vol. 71, # 12781j Full Text Show Details
Chromatographic Data (1) Chromatographic data
Reference
CE (Capillar electrophoresis)
Burrai, Lucia; Nieddu, Maria; Pirisi, Maria Antonietta; Carta, Antonio; Briguglio, Irene; Boatto, Gianpiero
Chirality, 2013 , vol. 25, # 10 p. 617 - 621 Title/Abstract Full Text View citing articles Show Details
Crystal Phase (1) Description (Crystal Phase)
Reference
Crystal structure determination
Kennard et al.
Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1974 , p. 1160,1161-1163
Full Text Show Details
Horn et al.
Journal of Pharmacy and Pharmacology, 1975 , vol. 27, p. 13,14-17 Full Text Show Details
Liquid/Liquid Systems (MCS) (1) Description (Liquid/Liquid Systems (MCS))
Reference
Distribution between solvent 1 + 2
Barfknecht et al.
Journal of Medicinal Chemistry, 1975 , vol. 18, p. 208,209 Full Text Show Details
Bioactivity Pharmacological Data (8) 1 of 8
Comment (Pharmacological Data)
Bioactivities present
Reference
Aldous,F.A.B. et al.
Journal of Medicinal Chemistry, 1974 , vol. 17, p. 1100 - 1111 Full Text View citing articles Show Details
Shulgin; Dyer
Journal of Medicinal Chemistry, 1975 , vol. 18, # 12 p. 1201 - 1204 Title/Abstract Full Text View citing articles Show Details
Caron, Marc G.; Sotnikova, Tatyana D.; Gainetdinov, Raul R.
Patent: US2007/27208 A1, 2007 ; Title/Abstract Full Text Show Details
Barfknecht et al.
Journal of Medicinal Chemistry, 1975 , vol. 18, p. 208,209 Full Text Show Details
Kennard et al.
Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1974 , p. 1160,1161-1163 Full Text Show Details
Dow Chemical Co.
Patent: GB1147739 , 1966 ; Chem.Abstr., 1969 , vol. 71, # 12781j Full Text Show Details
Morin et al.
Experientia, 1975 , vol. 31, p. 93 Full Text View citing articles Show Details
Horn et al.
Journal of Pharmacy and Pharmacology, 1975 , vol. 27, p. 13,14-17 Full Text Show Details
Seggel; Yousif; Lyon; Titeler; Roth; Suba; Glennon
Journal of Medicinal Chemistry, 1990 , vol. 33, # 3 p. 1032 - 1036 Title/Abstract Full Text View citing articles Show Details
Gomez-Jeria, Juan Sebastian; Cassels, Bruce K.; Saavedra-Aguilar, Juan Carlos
European Journal of Medicinal Chemistry, 1987 , vol. 22, p. 433 - 438 Title/Abstract Full Text View citing articles Show Details
Glennon; Liebowitz; Anderson III
Journal of Medicinal Chemistry, 1980 , vol. 23, # 3 p. 294 - 299 Title/Abstract Full Text View citing articles Show Details
Glennon; Young; Benington; Morin
Journal of Medicinal Chemistry, 1982 , vol. 25, # 10 p. 1163 - 1168 Title/Abstract Full Text View citing articles Show Details
Clare, Brian W.
Journal of Medicinal Chemistry, 1998 , vol. 41, # 20 p. 3845 - 3856 Title/Abstract Full Text View citing articles Show Details
Altun, Ahmet; Golcuk, Kurtulus; Kumru, Mustafa; Jalbout, Abraham F.
Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 18 p. 3861 - 3868 Title/Abstract Full Text View citing articles Show Details
Thakur, Mamta; Thakur, Abhilash; Khadikar, Padmakar V.
Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 4 p. 825 - 831 Title/Abstract Full Text View citing articles Show Details
Parker, Matthew A.; Kurrasch, Deborah M.; Nichols, David E.
Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 8 p. 4661 - 4669 Title/Abstract Full Text View citing articles Show Details
Barfknecht; Nichols; Dunn III
Journal of Medicinal Chemistry, 1975 , vol. 18, # 2 p. 208 - 210 Title/Abstract Full Text Show Details
Aldous; Barrass; Brewster; Buxton; Green; Pinder; Rich; Skeels; Tutt
Journal of Medicinal Chemistry, 1974 , vol. 17, # 10 p. 1100 - 1111 Title/Abstract Full Text Show Details
Bylund; Snyder
Molecular Pharmacology, 1976 , vol. 12, # 4 p. 568 - 580 Title/Abstract Full Text View citing articles Show Details
Kier; Hall
Journal of Medicinal Chemistry, 1977 , vol. 20, # 12 p. 1631 - 1636 Title/Abstract Full Text Show Details
2 of 8
Comment (Pharmacological Data)
Bioactivities present
Reference
Glennon; Raghupathi; Bartyzel; Teitler; Leonhardt
Journal of Medicinal Chemistry, 1992 , vol. 35, # 4 p. 734 - 740 Title/Abstract Full Text Show Details
Clare
Journal of Medicinal Chemistry, 1990 , vol. 33, # 2 p. 687 - 702 Title/Abstract Full Text Show Details
Titeler; Lyon; Glennon
Psychopharmacology, 1988 , vol. 94, # 2 p. 213 - 216 Title/Abstract Full Text Show Details
Glennon
Journal of Medicinal Chemistry, 1987 , vol. 30, # 1 p. 1 - 12 Title/Abstract Full Text Show Details
Burrai, Lucia; Nieddu, Maria; Pirisi, Maria Antonietta; Carta, Antonio; Briguglio, Irene; Boatto, Gianpiero
Chirality, 2013 , vol. 25, # 10 p. 617 - 621 Title/Abstract Full Text View citing articles Show Details
Raj K. Razdan
Annual reports in medicinal chemistry, 1969 , vol. 5, p. 23 - 29 Title/Abstract Full Text Show Details
S.P.Gupta
Chemical reviews, 1989 , vol. 89, # 8 p. 1765 - 1800 Title/Abstract Full Text Show Details
SATYA P. GUPTA; PRITHVI SINGH; MAHESH C. BINDAL
Chemical reviews, 1983 , vol. 83, # 6 p. 633 - 649 Title/Abstract Full Text Show Details
Randox Laboratories Ltd.; Benchik, Elouard; Fitzgerald, Peter; Lowry, Philip; McConnell, Ivan
Patent: EP2950104 A1, 2015 ; Title/Abstract Full Text Show Details
Rojek, Sebastian; Bolechała, Filip; Kula, Karol; Maciów-Głąb, Martyna; Kłys, Małgorzata
Legal Medicine, 2016 , vol. 21, p. 64 - 72 Title/Abstract Full Text View citing articles Show Details
Glicksberg, Lindsay; Bryand, Kelsie; Kerrigan, Sarah
Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences, 2016 , vol. 1035, p. 91 - 103 Title/Abstract Full Text Show Details
Saz; Marina
Journal of Chromatography A, 2016 , vol. 1467, p. 79 - 94 Title/Abstract Full Text Show Details
3 of 8
Comment (Pharmacological Data)
physiological behaviour discussed
Reference
Randox Laboratories Ltd.; Benchik, Elouard; Fitzgerald, Peter; Lowry, Philip; McConnell, Ivan
Patent: EP2950104 A1, 2015 ; Title/Abstract Full Text Show Details
4 of 8
5 of 8
6 of 8
Effect (Pharmacological Data)
functional activity
Species or TestSystem (Pharmacological Data)
rat
Method (Pharmacological Data)
drug discrimination assay using rats trained to distinguish the 5-HT2A receptor agonist LSD from saline; rat behavior observed
Results
title comp. indirectly determined to be an agonist of 5-HT2A receptor
Reference
Parker, Matthew A.; Kurrasch, Deborah M.; Nichols, David E.
Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 8 p. 4661 - 4669 Title/Abstract Full Text View citing articles Show Details
Comment (Pharmacological Data)
5-HT2 serotonin antagonist activity
Reference
Seggel; Yousif; Lyon; Titeler; Roth; Suba; Glennon
Journal of Medicinal Chemistry, 1990 , vol. 33, # 3 p. 1032 - 1036 Title/Abstract Full Text View citing articles Show Details
Comment (Pharmacological Data)
serotonin binding affinity in the rat stomach fundus
Reference
Gomez-Jeria, Juan Sebastian; Cassels, Bruce K.; Saavedra-Aguilar, Juan Carlos
European Journal of Medicinal Chemistry, 1987 , vol. 22, p. 433 - 438 Title/Abstract Full Text View citing articles Show Details
7 of 8
8 of 8
Comment (Pharmacological Data)
the serotonin (5HT) receptor affinities, human hallucinogen, ED50= 0.23 mg/kg
Reference
Glennon; Young; Benington; Morin
Journal of Medicinal Chemistry, 1982 , vol. 25, # 10 p. 1163 - 1168 Title/Abstract Full Text View citing articles Show Details
Comment (Pharmacological Data)
affinity for the serotonin receptor (rat stomach fundus preparation)
Reference
Glennon; Liebowitz; Anderson III
Journal of Medicinal Chemistry, 1980 , vol. 23, # 3 p. 294 - 299 Title/Abstract Full Text View citing articles Show Details
Chemical Name: (S)-2,5-dimethoxy-4-ethylamphetamine Reaxys Registry Number: 3032361
CAS Registry Number: 53305-83-2 Type of Substance: isocyclic Molecular Formula: C13H21NO2
Linear Structure Formula: C13H21NO2
Molecular Weight: 223.315
InChI Key: HXJKWPGVENNMCC-VIFPVBQESA-N
2
2 prep out of 2 reactions.
Synthesize | Hide Details Find similar Chemical Names and Synonyms (S)-2,5-dimethoxy-4-ethylamphetamine Identification Substance Label (2) Label
Reference
14a
Univ. Iowa
Patent: US4000197 , 1976 ; Chem.Abstr., vol. 86, # 139599 Full Text Show Details
5n
Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 Title/Abstract Full Text View citing articles Show Details
Derivative (1) Comment (Derivative)
Reference
Hydrochlorid: F: 225.5-226.5grad; <α>(D)25: +16grad
Univ. Iowa
Patent: US4000197 , 1976 ; Chem.Abstr., vol. 86, # 139599 Full Text Show Details
Bioactivity Pharmacological Data (4) 1 of 4
Comment (Pharmacological Data)
Bioactivities present
Reference
Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 Title/Abstract Full Text View citing articles Show Details
Identification Bioactivity (4)
3
Univ. Iowa
Patent: US4000197 , 1976 ; Chem.Abstr., vol. 86, # 139599 Full Text Show Details
Lewin, Anita H.; Miller, Gregory M.; Gilmour, Brian
Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 23 p. 7044 - 7048 Title/Abstract Full Text View citing articles Show Details
2 of 4
3 of 4
4 of 4
Effect (Pharmacological Data)
receptor; activation of
Species or TestSystem (Pharmacological Data)
RD-HGA16 cells; genetically modified/infected with: recombinant human TAAR1
Further Details (Pharmacological Data)
TAAR1: trace amine-associated receptor 1; effective concentration (EC); EC50 related to: human TAAR1
Type (Pharmacological Data)
EC50
Value of Type (Pharmacological Data)
5.02 μmol/l
Reference
Lewin, Anita H.; Miller, Gregory M.; Gilmour, Brian
Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 23 p. 7044 - 7048 Title/Abstract Full Text View citing articles Show Details
Effect (Pharmacological Data)
receptor; activation of
Species or TestSystem (Pharmacological Data)
RD-HGA16 cells; genetically modified/infected with: recombinant human TAAR1
Further Details (Pharmacological Data)
TAAR1: trace amine-associated receptor 1
Results
molecular target: human TAAR1
Reference
Lewin, Anita H.; Miller, Gregory M.; Gilmour, Brian
Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 23 p. 7044 - 7048 Title/Abstract Full Text View citing articles Show Details
Effect (Pharmacological Data)
receptor; activation of
Species or TestSystem (Pharmacological Data)
RD-HGA16 cells; genetically modified/infected with: recombinant rhesus monkey TAAR1
Further Details (Pharmacological Data)
TAAR1: trace amine-associated receptor 1
Results
no effect (related to monkey TAAR1)
Reference
Lewin, Anita H.; Miller, Gregory M.; Gilmour, Brian
Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 23 p. 7044 - 7048 Title/Abstract Full Text View citing articles Show Details
Chemical Name: (R)-2,5-dimethoxy-4-ethylamphetamine
3
Reaxys Registry Number: 3032362
CAS Registry Number: 57116-37-7 Type of Substance: isocyclic Molecular Formula: C13H21NO2
Linear Structure Formula: C13H21NO2
Molecular Weight: 223.315
InChI Key: HXJKWPGVENNMCC-SECBINFHSA-N
2 prep out of 2 reactions.
Identification Bioactivity (3)
4
Synthesize | Hide Details Find similar Chemical Names and Synonyms (R)-2,5-dimethoxy-4-ethylamphetamine Identification Substance Label (2) Label
Reference
13a
Univ. Iowa
Patent: US4000197 , 1976 ; Chem.Abstr., vol. 86, # 139599 Full Text Show Details
5m
Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 Title/Abstract Full Text View citing articles Show Details
Derivative (1) Comment (Derivative)
Reference
Hydrochlorid: F: 226.5-227grad; <α>(D)25: -16.1grad
Univ. Iowa
Patent: US4000197 , 1976 ; Chem.Abstr., vol. 86, # 139599 Full Text Show Details
Bioactivity Pharmacological Data (3) 1 of 3
2 of 3
3 of 3
Comment (Pharmacological Data)
Bioactivities present
Reference
Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 Title/Abstract Full Text View citing articles Show Details
Univ. Iowa
Patent: US4000197 , 1976 ; Chem.Abstr., vol. 86, # 139599 Full Text Show Details
Lewin, Anita H.; Miller, Gregory M.; Gilmour, Brian
Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 23 p. 7044 - 7048 Title/Abstract Full Text View citing articles Show Details
McKenna; Peroutka
The Journal of neuroscience : the official journal of the Society for Neuroscience, 1989 , vol. 9, # 10 p. 3482 - 3490 Title/Abstract Full Text Show Details
Effect (Pharmacological Data)
receptor; activation of
Species or TestSystem (Pharmacological Data)
RD-HGA16 cells; genetically modified/infected with: recombinant human TAAR1
Further Details (Pharmacological Data)
TAAR1: trace amine-associated receptor 1
Results
no effect (related to human TAAR1)
Reference
Lewin, Anita H.; Miller, Gregory M.; Gilmour, Brian
Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 23 p. 7044 - 7048 Title/Abstract Full Text View citing articles Show Details
Effect (Pharmacological Data)
receptor; activation of
Species or Test-
RD-HGA16 cells; genetically modified/infected with: recombinant rhesus monkey TAAR1
System (Pharmacological Data) Further Details (Pharmacological Data)
TAAR1: trace amine-associated receptor 1
Results
no effect (related to monkey TAAR1)
Reference
Lewin, Anita H.; Miller, Gregory M.; Gilmour, Brian
Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 23 p. 7044 - 7048 Title/Abstract Full Text View citing articles Show Details
Chemical Name: DOET
no reactions.
Reaxys Registry Number: 6785288
Type of Substance: isocyclic Molecular Formula: C13H21NO2*ClH Linear Structure Formula: C13H21NO2*ClH Molecular Weight: 259.776
InChI Key: NFWFNZNUXAZEQG-UHFFFAOYSA-N 4
Synthesize | Hide Details Find similar Chemical Names and Synonyms DOET Identification Substance Label (1) Label
Reference
6c
Shulgin; Dyer
Journal of Medicinal Chemistry, 1975 , vol. 18, # 12 p. 1201 - 1204 Title/Abstract Full Text View citing articles Show Details
Physical Data Melting Point (2) Melting Point
Solvent (Melting Point)
Reference
194 - 195 °C
acetonitrile
Shulgin; Dyer
Journal of Medicinal Chemistry, 1975 , vol. 18, # 12 p. 1201 - 1204 Title/Abstract Full Text View citing articles Show Details
188 - 190 °C
ethanol diethyl ether
Aldous,F.A.B. et al.
Journal of Medicinal Chemistry, 1974 , vol. 17, p. 1100 - 1111 Full Text View citing articles Show Details
Bioactivity Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
Reference
Aldous,F.A.B. et al.
Journal of Medicinal Chemistry, 1974 , vol. 17, p. 1100 - 1111 Full Text View citing articles Show Details
Shulgin; Dyer
Journal of Medicinal Chemistry, 1975 , vol. 18, # 12 p. 1201 - 1204 Title/Abstract Full Text View citing articles Show Details
Glennon; Liebowitz; Anderson III
Journal of Medicinal Chemistry, 1980 , vol. 23, # 3 p. 294 - 299 Title/Abstract Full Text View citing articles Show Details
Identification Physical Data (2) Bioactivity (1)
4
Glennon, Richard A.; Dukat, Malgorzata; Grella, Brian; Hong, Seoung-Soo; Costantino, Luca; Teitler, Milt; Smith, Carol; Egan, Chris; Davis, Katherine; Mattson, Mariena V.
Drug and Alcohol Dependence, 2000 , vol. 60, # 2 p. 121 - 132 Title/Abstract Full Text View citing articles Show Details
Reaxys Registry Number: 7285232
Type of Substance: isocyclic Molecular Formula: C13H21NO2*ClH Linear Structure Formula: C13H21NO2*ClH Molecular Weight: 259.776
InChI Key: NFWFNZNUXAZEQG-FVGYRXGTSA-N 5
no reactions.
Identification Physical Data (2) Bioactivity (1)
2
Synthesize | Hide Details Find similar
Identification Substance Label (1) Label
Reference
5n
Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 Title/Abstract Full Text View citing articles Show Details
Physical Data Melting Point (1) Melting Point
Solvent (Melting Point)
Reference
225.5 - 226.5 °C
propan-2-ol diethyl ether
Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 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 g/100ml
H2O
16 deg
589 nm
25 °C
Reference Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 Title/Abstract Full Text View citing articles Show Details
Bioactivity Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
Reference
Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 Title/Abstract Full Text View citing articles Show Details
Dyer; Nichols; Rusterholz; Barfknecht
Life Sciences, 1973 , vol. 13, # 7 p. 885 - 896 Title/Abstract Full Text Show Details
Reaxys Registry Number: 7285233
Type of Substance: isocyclic Molecular Formula: C13H21NO2*ClH
no reactions.
Identification Physical Data (2) Bioactivity (1)
2
Linear Structure Formula: C13H21NO2*ClH Molecular Weight: 259.776
InChI Key: NFWFNZNUXAZEQG-SBSPUUFOSA-N
6
Synthesize | Hide Details Find similar
Identification Substance Label (1) Label
Reference
5m
Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 Title/Abstract Full Text View citing articles Show Details
Physical Data Melting Point (1) Melting Point
Solvent (Melting Point)
Reference
226.5 - 227 °C
propan-2-ol diethyl ether
Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 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 g/100ml
H2O
-16.1 deg
589 nm
25 °C
Bioactivity Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
Reference
Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 Title/Abstract Full Text View citing articles Show Details
Dyer; Nichols; Rusterholz; Barfknecht
Life Sciences, 1973 , vol. 13, # 7 p. 885 - 896 Title/Abstract Full Text Show Details
Reference Nichols; Barfknecht; Rusterholz; Benington; Morin
Journal of medicinal chemistry, 1973 , vol. 16, # 5 p. 480 - 483 Title/Abstract Full Text View citing articles Show Details