Query Query
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Date
24 substances in Reaxys
2016-07-06 09h:43m:40s (EST)
[H,C]
L
1. Query
N
L
[H,C]
Search as: As drawn, No mixtures, No charges, No radicals
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Reaxys ID 2845248 View in Reaxys
1/24 CAS Registry Number: 21026-75-5 Chemical Name: (1-methyl-2-phenyl-ethyl)-phenethyl-amine; N-Phenethyl-β-phenylisopropylamine; (1-Methyl-2-phenyl-aethyl)-phenaethyl-amin; 2-Phenaethylamino-1-phenyl-propan Linear Structure Formula: C17H21N Molecular Formula: C17H21N Molecular Weight: 239.36 Type of Substance: isocyclic InChI Key: MRVIUBHXZKIUJZ-UHFFFAOYSA-N Note:
H N
Substance Label (3) Label References 13d
Guisado, Cristina; Waterhouse, Jodie E.; Price, Wayne S.; Jorgensen, Michael R.; Miller, Andrew D.; Organic and Biomolecular Chemistry; vol. 3; nb. 6; (2005); p. 1049 - 1057, View in Reaxys
XVII
Kudryashova, N. I.; Novikova, N. A.; Pharmaceutical Chemistry Journal; vol. 18; nb. 4; (1984); p. 245 248; Khimiko-Farmatsevticheskii Zhurnal; vol. 18; nb. 4; (1984); p. 427 - 431, View in Reaxys
VIII
Richter; Vetter; Organic Mass Spectrometry; vol. 2; (1969); p. 781,784, View in Reaxys
Derivative (1) Derivative
References
N-Phenethyl-βphenylisopropylamine hydrochloride Boiling Point (1) Boiling Point [°C] 156 - 158
Kudryashova, N. I.; Novikova, N. A.; Pharmaceutical Chemistry Journal; vol. 18; nb. 4; (1984); p. 245 248; Khimiko-Farmatsevticheskii Zhurnal; vol. 18; nb. 4; (1984); p. 427 - 431, View in Reaxys
Pressure (Boiling Point) [Torr]
References
2
Kudryashova, N. I.; Novikova, N. A.; Pharmaceutical Chemistry Journal; vol. 18; nb. 4; (1984); p. 245 - 248; Khimiko-Farmatsevticheskii Zhurnal; vol. 18; nb. 4; (1984); p. 427 431, View in Reaxys
Refractive Index (1) Refractive Index Wavelength (Refractive Index) [nm]
Temperature (Refractive Index) [°C]
References
1.555
20
Kudryashova, N. I.; Novikova, N. A.; Pharmaceutical Chemistry Journal; vol. 18; nb. 4; (1984); p. 245 - 248; Khimiko-Farmatsevticheskii Zhurnal; vol. 18; nb. 4; (1984); p. 427 - 431, View in Reaxys
589
Crystal Property Description (1) Colour & Other References Properties yellow
Guisado, Cristina; Waterhouse, Jodie E.; Price, Wayne S.; Jorgensen, Michael R.; Miller, Andrew D.; Organic and Biomolecular Chemistry; vol. 3; nb. 6; (2005); p. 1049 - 1057, View in Reaxys
NMR Spectroscopy (3) 1 of 3
Nucleus (NMR Spectroscopy)
1H
Coupling Nuclei
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Guisado, Cristina; Waterhouse, Jodie E.; Price, Wayne S.; Jorgensen, Michael R.; Miller, Andrew D.; Organic and Biomolecular Chemistry; vol. 3; nb. 6; (2005); p. 1049 - 1057, View in Reaxys 2 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
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Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Guisado, Cristina; Waterhouse, Jodie E.; Price, Wayne S.; Jorgensen, Michael R.; Miller, Andrew D.; Organic and Biomolecular Chemistry; vol. 3; nb. 6; (2005); p. 1049 - 1057, View in Reaxys 3 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Guisado, Cristina; Waterhouse, Jodie E.; Price, Wayne S.; Jorgensen, Michael R.; Miller, Andrew D.; Organic and Biomolecular Chemistry; vol. 3; nb. 6; (2005); p. 1049 - 1057, View in Reaxys Mass Spectrometry (1) References Richter; Vetter; Organic Mass Spectrometry; vol. 2; (1969); p. 781,784, View in Reaxys Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
Kralt,T. et al.; Recueil des Travaux Chimiques des Pays-Bas; vol. 80; (1961); p. 330 - 357, View in Reaxys; Jacobsen et al.; Skand.Arch.Physiol.; vol. 79; (1938); p. 258,279, View in Reaxys; Buth; Kuelz; Rosenmund; Chemische Berichte; vol. 72; (1939); p. 19,28, View in Reaxys; Richter; Vetter; Organic Mass Spectrometry; vol. 2; (1969); p. 781,784, View in Reaxys; Kudryashova, N. I.; Novikova, N. A.; Pharmaceutical Chemistry Journal; vol. 18; nb. 4; (1984); p. 245 - 248; Khimiko-Farmatsevticheskii Zhurnal; vol. 18; nb. 4; (1984); p. 427 - 431, View in Reaxys; Guisado, Cristina; Waterhouse, Jodie E.; Price, Wayne S.; Jorgensen, Michael R.; Miller, Andrew D.; Organic and Biomolecular Chemistry; vol. 3; nb. 6; (2005); p. 1049 - 1057, View in Reaxys; Glennon; Smith; Ismaiel; El-Ashmawy; Battaglia; Fischer; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys
Reaxys ID 4294387 View in Reaxys
2/24 CAS Registry Number: 132076-48-3 Linear Structure Formula: C17H21N Molecular Formula: C17H21N Molecular Weight: 239.36 Type of Substance: isocyclic InChI Key: MRVIUBHXZKIUJZ-HNNXBMFYSA-N Note:
H N
Derivative (1) Derivative
References
((S)-1-Methyl-2Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; phenyl-ethyl)-phe- Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys nethyl-amine; hydrochloride Melting Point (1) 1 of 1
Melting Point [°C]
217
Solvent (Melting Point)
propan-2-ol; diethyl ether
Glennon; Ablordeppey; Ismaiel; El-Ashmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
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Patent; Virginia Commonwealth University; US6057371; (2000); (A1) English, View in Reaxys; Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys; Glennon; Ablordeppey; Ismaiel; ElAshmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys; Glennon; Mini-Reviews in Medicinal Chemistry; vol. 5; nb. 10; (2005); p. 927 - 940, View in Reaxys
Reaxys ID 4294388 View in Reaxys
3/24 CAS Registry Number: 132076-46-1 Linear Structure Formula: C17H21N Molecular Formula: C17H21N Molecular Weight: 239.36 Type of Substance: isocyclic InChI Key: MRVIUBHXZKIUJZ-OAHLLOKOSA-N Note:
H N
Derivative (1) Derivative
References
((R)-1-Methyl-2Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; phenyl-ethyl)-phe- Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys nethyl-amine; hydrochloride Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
Patent; Virginia Commonwealth University; US6057371; (2000); (A1) English, View in Reaxys; Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys; Glennon; Ablordeppey; Ismaiel; ElAshmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys; Glennon; Mini-Reviews in Medicinal Chemistry; vol. 5; nb. 10; (2005); p. 927 - 940, View in Reaxys
Reaxys ID 2863891 View in Reaxys
4/24 CAS Registry Number: 55538-82-4 Linear Structure Formula: C17H19D2N Molecular Formula: C17H21N Molecular Weight: 241.345 Type of Substance: isocyclic InChI Key: MRVIUBHXZKIUJZ-KLTYLHELSA-N Note:
H N 2
H
2H
Substance Label (1) Label References VIIIb
Richter; Vetter; Organic Mass Spectrometry; vol. 2; (1969); p. 781,784, View in Reaxys
Mass Spectrometry (1) References Richter; Vetter; Organic Mass Spectrometry; vol. 2; (1969); p. 781,784, View in Reaxys
Reaxys ID 2864239 View in Reaxys
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CAS Registry Number: 55538-81-3 Linear Structure Formula: C17H19D2N Molecular Formula: C17H21N Molecular Weight: 241.345 Type of Substance: isocyclic InChI Key: MRVIUBHXZKIUJZ-XUWBISKJSA-N Note:
2H 2H
HN
Substance Label (1) Label References VIIIa
Richter; Vetter; Organic Mass Spectrometry; vol. 2; (1969); p. 781,784, View in Reaxys
Mass Spectrometry (1) References Richter; Vetter; Organic Mass Spectrometry; vol. 2; (1969); p. 781,784, View in Reaxys
Reaxys ID 3205484 View in Reaxys
6/24 CAS Registry Number: 132017-84-6 Chemical Name: methyl-((S)-1-methyl-2-phenyl-ethyl)-phenethyl-amine; Methyl-((S)-1-methyl-2-phenyl-aethyl)-phenaethyl-amin Linear Structure Formula: C18H23N Molecular Formula: C18H23N Molecular Weight: 253.387 Type of Substance: isocyclic InChI Key: GQJHAVHSZPQZHD-INIZCTEOSA-N Note:
N H
Derivative (1) Derivative methyl-((S)-1methyl-2-phenylethyl)-phenethylamine; hydrochloride
References Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys
Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
Patent; Virginia Commonwealth University; US6057371; (2000); (A1) English, View in Reaxys; Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys; Glennon; Ablordeppey; Ismaiel; ElAshmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys
Reaxys ID 3205485 View in Reaxys
H
7/24 Chemical Name: (+-)-methyl-(1-methyl-2-phenyl-ethyl)-phenethyl-amine; (+-)-Methyl-(1-methyl-2-phenyl-aethyl)-phenaethyl-amin Linear Structure Formula: C18H23N Molecular Formula: C18H23N Molecular Weight: 253.387 Type of Substance: isocyclic InChI Key: GQJHAVHSZPQZHD-UHFFFAOYSA-N Note:
N
Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
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Glennon; Smith; Ismaiel; El-Ashmawy; Battaglia; Fischer; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys
Reaxys ID 3205486 View in Reaxys
8/24 CAS Registry Number: 40816-63-5 Chemical Name: meso-bis-(1-methyl-2-phenyl-ethyl)-amine; meso-Bis-(1-methyl-2-phenyl-aethyl)-amin Linear Structure Formula: C18H23N Molecular Formula: C18H23N Molecular Weight: 253.387 Type of Substance: isocyclic InChI Key: XIZFJFZATSHCAL-IYBDPMFKSA-N Note:
H N H
H
Reaxys ID 3205487 View in Reaxys
9/24 CAS Registry Number: 10509-86-1; 40816-62-4; 40816-63-5; 42909-62-6 Chemical Name: racem.-bis-(1-methyl-2-phenyl-ethyl)-amine; racem.-Bis-(1-methyl-2-phenyl-aethyl)-amin Linear Structure Formula: C18H23N Molecular Formula: C18H23N Molecular Weight: 253.387 Type of Substance: isocyclic InChI Key: XIZFJFZATSHCAL-HOTGVXAUSA-N Note:
H NH H
racemate
Boiling Point (1) Boiling Point [°C] 185 - 186
Pressure (Boiling Point) [Torr]
References
13
Buth; Kuelz; Rosenmund; Chemische Berichte; vol. 72; (1939); p. 19,28, View in Reaxys
Reaxys ID 3205488 View in Reaxys
10/24 CAS Registry Number: 10509-86-1; 40816-62-4; 40816-63-5; 42909-62-6 Chemical Name: bis-(1-methyl-2-phenyl-ethyl)-amine; Bis-(1methyl-2-phenyl-aethyl)-amin Linear Structure Formula: C18H23N Molecular Formula: C18H23N Molecular Weight: 253.387 Type of Substance: isocyclic InChI Key: XIZFJFZATSHCAL-HOTGVXAUSA-N Note:
H NH H
rel-configuration
Reaxys ID 3310438 View in Reaxys
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Chemical Name: α,α'-dimethyldiphenethylamine; bis(1-phenyl-2-propyl)amine Linear Structure Formula: C18H23N Molecular Formula: C18H23N Molecular Weight: 253.387 Type of Substance: isocyclic InChI Key: XIZFJFZATSHCAL-UHFFFAOYSA-N Note:
HN
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Kawahara, Ryoko; Fujita, Ken-Ichi; Yamaguchi, Ryohei; Journal of the American Chemical Society; vol. 132; nb. 43; (2010); p. 15108 - 15111, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
125.7
Location
supporting information
Kawahara, Ryoko; Fujita, Ken-Ichi; Yamaguchi, Ryohei; Journal of the American Chemical Society; vol. 132; nb. 43; (2010); p. 15108 - 15111, View in Reaxys
Reaxys ID 6116212 View in Reaxys
12/24 CAS Registry Number: 10509-86-1; 40816-62-4; 40816-63-5; 42909-62-6 Chemical Name: (+)-bis-(1-methyl-2-phenyl-ethyl)-amine; (+)Bis-(1-methyl-2-phenyl-aethyl)-amin Linear Structure Formula: C18H23N Molecular Formula: C18H23N Molecular Weight: 253.387 Type of Substance: isocyclic InChI Key: XIZFJFZATSHCAL-HOTGVXAUSA-N Note:
H NH H
(+)-enantiomer,rel-configuration
Optical Rotatory Power (1) 1 of 1
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
c=11
Solvent (Optical Rotatory Power)
ethanol
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Optical Rotatory Power [deg]
8
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
20
Buth; Kuelz; Rosenmund; Chemische Berichte; vol. 72; (1939); p. 19,28, View in Reaxys
Reaxys ID 6116213 View in Reaxys
13/24 CAS Registry Number: 10509-86-1; 40816-62-4; 40816-63-5; 42909-62-6 Chemical Name: (-)-bis-(1-methyl-2-phenyl-ethyl)-amine; (-)Bis-(1-methyl-2-phenyl-aethyl)-amin Linear Structure Formula: C18H23N Molecular Formula: C18H23N Molecular Weight: 253.387 Type of Substance: isocyclic InChI Key: XIZFJFZATSHCAL-HOTGVXAUSA-N Note:
H NH H
(-)-enantiomer,rel-configuration
Optical Rotatory Power (1) 1 of 1
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
c=8
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
-9
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
20
Buth; Kuelz; Rosenmund; Chemische Berichte; vol. 72; (1939); p. 19,28, View in Reaxys
Reaxys ID 6846383 View in Reaxys
14/24 Chemical Name: (R)-N-methyl-N-(2-phenyl)-1-phenylethyl-2aminopropane Linear Structure Formula: C18H23N Molecular Formula: C18H23N Molecular Weight: 253.387 Type of Substance: isocyclic InChI Key: GQJHAVHSZPQZHD-MRXNPFEDSA-N Note:
N
Substance Label (1) Label References 5 free base Derivative (1) Derivative
Glennon; Ablordeppey; Ismaiel; El-Ashmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys References
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(R)-(-)-N-methyl- Glennon; Ablordeppey; Ismaiel; El-Ashmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; N-(2-phenyl)-1nb. 8; (1994); p. 1214 - 1219, View in Reaxys phenylethyl-2aminopropane hydrogen oxalate Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
Glennon; Ablordeppey; Ismaiel; El-Ashmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys
Reaxys ID 2942308 View in Reaxys
15/24 CAS Registry Number: 53660-19-8 Chemical Name: N,α,α'-trimethyldiphenethylamine; Di-(1-Phenylisopropyl)methylamin Linear Structure Formula: C19H25N Molecular Formula: C19H25N Molecular Weight: 267.414 Type of Substance: isocyclic InChI Key: HJNVYHKUBNVMDC-UHFFFAOYSA-N Note:
N
Substance Label (1) Label References III
Bailey et al.; Journal of Pharmaceutical Sciences; vol. 63; (1974); p. 1575,1576-1578, View in Reaxys
Derivative (1) Comment (Derivative)
References
*HCl: 1H-NMRspectrum; IRspectrum; Massspectrum
Barron et al.; Journal - Association of Official Analytical Chemists; vol. 57; (1974); p. 1147,1148-1150, View in Reaxys
Further Information (1) Description (Fur- References ther Information) Further information
Barron et al.; Journal - Association of Official Analytical Chemists; vol. 57; (1974); p. 1147,1148-1150, View in Reaxys
NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- NMR troscopy) Bailey et al.; Journal of Pharmaceutical Sciences; vol. 63; (1974); p. 1575,1576-1578, View in Reaxys
IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
IR
Bailey et al.; Journal of Pharmaceutical Sciences; vol. 63; (1974); p. 1575,1576-1578, View in Reaxys Mass Spectrometry (1) References Bailey et al.; Journal of Pharmaceutical Sciences; vol. 63; (1974); p. 1575,1576-1578, View in Reaxys
Reaxys ID 3722992 View in Reaxys
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Cl
H N
CAS Registry Number: 6285-56-9 Chemical Name: N-Phenethyl-β-phenylisopropylamine hydrochloride; (1-methyl-2-phenyl-ethyl)-phenethyl-amine; hydrochloride; (1-Methyl-2-phenyl-aethyl)-phenaethyl-amin; Hydrochlorid Linear Structure Formula: C17H21N*ClH Molecular Formula: C17H21N*ClH Molecular Weight: 275.821 Type of Substance: isocyclic InChI Key: ZQRMGKDAQLSCLO-UHFFFAOYSA-N Note:
H
Substance Label (1) Label References XVII*HCl
Kudryashova, N. I.; Novikova, N. A.; Pharmaceutical Chemistry Journal; vol. 18; nb. 4; (1984); p. 245 248; Khimiko-Farmatsevticheskii Zhurnal; vol. 18; nb. 4; (1984); p. 427 - 431, View in Reaxys
Melting Point (3) 1 of 3
Melting Point [°C]
160 - 160.5
Solvent (Melting Point)
acetone
Kudryashova, N. I.; Novikova, N. A.; Pharmaceutical Chemistry Journal; vol. 18; nb. 4; (1984); p. 245 - 248; Khimiko-Farmatsevticheskii Zhurnal; vol. 18; nb. 4; (1984); p. 427 - 431, View in Reaxys 2 of 3
Melting Point [°C]
160
Solvent (Melting Point)
ethyl acetate; diethyl ether
Buth; Kuelz; Rosenmund; Chemische Berichte; vol. 72; (1939); p. 19,28, View in Reaxys 3 of 3
Melting Point [°C]
149
Jacobsen et al.; Skand.Arch.Physiol.; vol. 79; (1938); p. 258,279, View in Reaxys Pharmacological Data (2) 1 of 2
Comment (Pharmacological Data)
Bioactivities present
Jacobsen et al.; Skand.Arch.Physiol.; vol. 79; (1938); p. 258,279, View in Reaxys; Buth; Kuelz; Rosenmund; Chemische Berichte; vol. 72; (1939); p. 19,28, View in Reaxys; Kudryashova, N. I.; Novikova, N. A.; Pharmaceutical Chemistry Journal; vol. 18; nb. 4; (1984); p. 245 - 248; Khimiko-Farmatsevticheskii Zhurnal; vol. 18; nb. 4; (1984); p. 427 - 431, View in Reaxys 2 of 2
Comment (Pharmacological Data)
LD 50: 86 mg/kg - intraperitoneal injection (mouse); influence on the prolongation of the sedative effects of barbamyl and chloral hydrate; no influence on the linearity and intensity of arecholinic and nicotinic hyperkinesis
Kudryashova, N. I.; Novikova, N. A.; Pharmaceutical Chemistry Journal; vol. 18; nb. 4; (1984); p. 245 - 248; Khimiko-Farmatsevticheskii Zhurnal; vol. 18; nb. 4; (1984); p. 427 - 431, View in Reaxys
Reaxys ID 4301576 View in Reaxys
Cl
H N
17/24 CAS Registry Number: 132076-49-4 Linear Structure Formula: C17H21N*ClH Molecular Formula: C17H21N*ClH Molecular Weight: 275.821 Type of Substance: isocyclic InChI Key: ZQRMGKDAQLSCLO-RSAXXLAASA-N Note:
H
Substance Label (1) Label References S-(+)-11
Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys
Melting Point (1) 1 of 1
Melting Point [°C]
184 - 186
Solvent (Melting Point)
methanol; butan-2-one
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Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys Pharmacological Data (2) 1 of 2
Comment (Pharmacological Data)
Bioactivities present
Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys; Glennon; Smith; Ismaiel; El-Ashmawy; Battaglia; Fischer; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys 2 of 2
Comment (Pharmacological Data)
affinity at σ binding sites (guinea pig and rat cerebellar homogenates), does not bind at PCP sites
Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys
Reaxys ID 4301577 View in Reaxys
Cl
H N
18/24 CAS Registry Number: 132076-47-2 Linear Structure Formula: C17H21N*ClH Molecular Formula: C17H21N*ClH Molecular Weight: 275.821 Type of Substance: isocyclic InChI Key: ZQRMGKDAQLSCLO-XFULWGLBSA-N Note:
H
Substance Label (1) Label References R-(-)-11
Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys
Melting Point (1) 1 of 1
Melting Point [°C]
184 - 186
Solvent (Melting Point)
methanol; butan-2-one
Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys Pharmacological Data (2) 1 of 2
Comment (Pharmacological Data)
Bioactivities present
Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys; Glennon; Smith; Ismaiel; El-Ashmawy; Battaglia; Fischer; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys 2 of 2
Comment (Pharmacological Data)
affinity at σ binding sites (guinea pig and rat cerebellar homogenates), affinity at PCP sites
Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys
Reaxys ID 3598389 View in Reaxys
Cl
H N
19/24 CAS Registry Number: 10509-87-2 Linear Structure Formula: C18H23N*ClH Molecular Formula: C18H23N*ClH Molecular Weight: 289.848 Type of Substance: isocyclic InChI Key: VSBQUBMZHIIVJP-UHFFFAOYSA-N Note:
H
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Substance Label (1) Label References meso-II
Dumpis, M. A.; Kudryashova, N. I.; Veresova, M. A.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 7.2; (1989); p. 1332 - 1337; Zhurnal Organicheskoi Khimii; vol. 25; nb. 7; (1989); p. 1477 1482, View in Reaxys
NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Dumpis, M. A.; Kudryashova, N. I.; Veresova, M. A.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 7.2; (1989); p. 1332 - 1337; Zhurnal Organicheskoi Khimii; vol. 25; nb. 7; (1989); p. 1477 - 1482, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
nujol
Comment (IR Spectroscopy)
740 - 690 cm**(-1)
Dumpis, M. A.; Kudryashova, N. I.; Veresova, M. A.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 7.2; (1989); p. 1332 - 1337; Zhurnal Organicheskoi Khimii; vol. 25; nb. 7; (1989); p. 1477 - 1482, View in Reaxys
Reaxys ID 3598390 View in Reaxys
20/24 Cl
CAS Registry Number: 10509-87-2 Chemical Name: racem.-bis-(1-methyl-2-phenyl-ethyl)-amine; hydrochloride; racem.-Bis-(1-methyl-2-phenyl-aethyl)-amin; Hydrochlorid Linear Structure Formula: C18H23N*ClH Molecular Formula: C18H23N*ClH Molecular Weight: 289.848 Type of Substance: isocyclic InChI Key: VSBQUBMZHIIVJP-MOGJOVFKSA-N Note:
H
H NH H
racemate
Substance Label (1) Label References II racemate
Dumpis, M. A.; Kudryashova, N. I.; Veresova, M. A.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 7.2; (1989); p. 1332 - 1337; Zhurnal Organicheskoi Khimii; vol. 25; nb. 7; (1989); p. 1477 1482, View in Reaxys
Melting Point (1) 1 of 1
Melting Point [°C]
197
Solvent (Melting Point)
aq. acetone
Buth; Kuelz; Rosenmund; Chemische Berichte; vol. 72; (1939); p. 19,28, View in Reaxys NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy)
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Dumpis, M. A.; Kudryashova, N. I.; Veresova, M. A.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 7.2; (1989); p. 1332 - 1337; Zhurnal Organicheskoi Khimii; vol. 25; nb. 7; (1989); p. 1477 - 1482, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
nujol
Comment (IR Spectroscopy)
750 - 699 cm**(-1)
Dumpis, M. A.; Kudryashova, N. I.; Veresova, M. A.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 7.2; (1989); p. 1332 - 1337; Zhurnal Organicheskoi Khimii; vol. 25; nb. 7; (1989); p. 1477 - 1482, View in Reaxys
Reaxys ID 3721853 View in Reaxys
Cl
21/24 CAS Registry Number: 132017-85-7 Chemical Name: (+-)-methyl-(1-methyl-2-phenyl-ethyl)-phenethyl-amine; hydrochloride; (+-)-Methyl-(1-methyl-2-phenylaethyl)-phenaethyl-amin; Hydrochlorid Linear Structure Formula: C18H23N*ClH Molecular Formula: C18H23N*ClH Molecular Weight: 289.848 Type of Substance: isocyclic InChI Key: NRMBCYCGKKDSCZ-UHFFFAOYSA-N Note:
H
N H
Melting Point (1) 1 of 1
Melting Point [°C]
124
Solvent (Melting Point)
ethyl acetate; diethyl ether
Patent; Rosenmund; Kuelz; US2006114; (1933), View in Reaxys
Reaxys ID 4277101 View in Reaxys
Cl
22/24 CAS Registry Number: 132017-85-7 Chemical Name: methyl-((S)-1-methyl-2-phenyl-ethyl)-phenethyl-amine; hydrochloride; Methyl-((S)-1-methyl-2-phenylaethyl)-phenaethyl-amin; Hydrochlorid Linear Structure Formula: C18H23N*ClH Molecular Formula: C18H23N*ClH Molecular Weight: 289.848 Type of Substance: isocyclic InChI Key: NRMBCYCGKKDSCZ-NTISSMGPSA-N Note:
H
N
Substance Label (1) Label References 12
Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys
Melting Point (2) 1 of 2
Melting Point [°C]
184 - 186
Solvent (Melting Point)
methanol; butan-2-one
Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys 2 of 2
Melting Point [°C]
171
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Warnat; Festschr.E.Barrell <Basel 1936> S.255,264, View in Reaxys Optical Rotatory Power (1) 1 of 1
Type (Optical Rotatory Power)
[alpha]
Solvent (Optical Rotatory Power)
H2O
Optical Rotatory Power [deg]
30.4
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
20
Warnat; Festschr.E.Barrell <Basel 1936> S.255,264, View in Reaxys Pharmacological Data (2) 1 of 2
Comment (Pharmacological Data)
Bioactivities present
Warnat; Festschr.E.Barrell <Basel 1936> S.255,264, View in Reaxys; Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys; Glennon; Smith; Ismaiel; El-Ashmawy; Battaglia; Fischer; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys 2 of 2
Comment (Pharmacological Data)
affinity at σ binding sites (guinea pig and rat cerebellar homogenates), affinity at PCP sites
Glennon, Richard A.; Smith, J. Doyle; Ismaiel, Abd M.; El-Ashmawy, Mahmoud; Battaglia, George; Fisher, James B.; Journal of Medicinal Chemistry; vol. 34; nb. 3; (1991); p. 1094 - 1098, View in Reaxys
Reaxys ID 6119626 View in Reaxys
23/24 Cl
CAS Registry Number: 10509-87-2 Chemical Name: meso-bis-(1-methyl-2-phenyl-ethyl)-amine; hydrochloride; meso-Bis-(1-methyl-2-phenyl-aethyl)-amin; Hydrochlorid Linear Structure Formula: C18H23N*ClH Molecular Formula: C18H23N*ClH Molecular Weight: 289.848 Type of Substance: isocyclic InChI Key: VSBQUBMZHIIVJP-FAESNJTISA-N Note:
H
H NH H
Melting Point (1) 1 of 1
Melting Point [°C]
254
Solvent (Melting Point)
aq. acetone
Buth; Kuelz; Rosenmund; Chemische Berichte; vol. 72; (1939); p. 19,28, View in Reaxys
Reaxys ID 6835798 View in Reaxys HO
24/24 Chemical Name: (R)-(-)-N-methyl-N-(2-phenyl)-1-phenylethyl-2-aminopropane hydrogen oxalate Linear Structure Formula: C18H23N*C2H2O4 Molecular Formula: C2H2O4*C18H23N Molecular Weight: 343.423 Type of Substance: isocyclic InChI Key: MAQJVJYUSCYGJE-PKLMIRHRSA-N Note:
O
O
OH
N
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Substance Label (1) Label References (-)-5
Glennon; Ablordeppey; Ismaiel; El-Ashmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys
Melting Point (1) 1 of 1
Melting Point [°C]
185 - 187
Solvent (Melting Point)
ethanol
Glennon; Ablordeppey; Ismaiel; El-Ashmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys Optical Rotatory Power (1) 1 of 1
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
2 weight-percent
Solvent (Optical Rotatory Power)
methanol
Optical Rotatory Power [deg]
-16
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
23
Glennon; Ablordeppey; Ismaiel; El-Ashmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys Pharmacological Data (2) 1 of 2
Comment (Pharmacological Data)
Bioactivities present
Glennon; Ablordeppey; Ismaiel; El-Ashmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys 2 of 2
Comment (Pharmacological Data)
σ1-selective binding affinity using (+)-<3H>pentazocine as the radioligand, guinea pig brain membranes
Glennon; Ablordeppey; Ismaiel; El-Ashmawy; Fischer; Howie; Journal of Medicinal Chemistry; vol. 37; nb. 8; (1994); p. 1214 - 1219, View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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