For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

EZLOPITANT;(2-S,3-S-CIS)-2-(DIPHENYLMETHYL)-N-{(2-METHOXY-5-ISOPROPYLPHENYL)-METHYL}-1-AZABICYCLO-[2.2.2]-OCTAN-3-AMINE

Compound with spectra: 1 NMR

EZLOPITANT;(2-S,3-S-CIS)-2-(DIPHENYLMETHYL)-N-{(2-METHOXY-5-ISOPROPYLPHENYL)-METHYL}-1-AZABICYCLO-[2.2.2]-OCTAN-3-AMINE
SpectraBase Compound ID LVklwq1q6mS
InChI InChI=1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1
InChIKey XPNMCDYOYIKVGB-CONSDPRKSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H38N2O
Exact Mass 454.298414 g/mol
Enantiomer InChIKey XPNMCDYOYIKVGB-FIRIVFDPSA-N

View Spectrum of EZLOPITANT;(2-S,3-S-CIS)-2-(DIPHENYLMETHYL)-N-{(2-METHOXY-5-ISOPROPYLPHENYL)-METHYL}-1-AZABICYCLO-[2.2.2]-OCTAN-3-AMINE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
((8S,9S)-8-Benzhydryl-7-aza-tricyclo[4.3.1.0*3,7*]dec-9-yl)-(4-trifluoromethyl-benzyl)-amine
(5S,6S)-5-(Diphenylmethyl)octahydro-N-(phenylmethyl)-3,7-methanoindolizin-6-amine
(3RS,3aRS,8aSR)-1-Benzyl-3-phenyloctahydrocyclohepta[b]pyrrol-4(1H)-one
(1R,2R,4aS,8aS)-2-methyl-1-phenylpyrrolo[1,2-a]indole
(1R,2S,4aS,8aS)-2-methyl-1-phenylpyrrolo[1,2-a]indole
2,3-DIPIPERIDINO-3-(4-METHOXYCYCLOHEXYL)-4'-PHENYLPROPIOPHENONE
(+-)-(1R*,4S*,5S*)-4-(Diphenylmethyl)-1-hydroxy-2-azabicyclo[3.3.0]octan-3-one
(1RS,5RS,6SR)-2-Aza-5-methyl-7-oxa-8,8-diphenylbicyclo[4.2.0]oct-3-one
(1RS,5SR,6SR)-2-Aza-5-methyl-7-oxa-8,8-diphenylbicyclo[4.2.0]oct-3-one
(7RS,8RS)-(+/-)-2-(7,8-DIPHENYL-5-PYRROLIDINO-2-AZABICYCLO-[3.2.2]-NON-2-YL)-ETHANOL
Title Journal or Book Year
Identification of the degradation product of ezlopitant, a non-peptidic substance p antagonist receptor, by hydrogen deuterium exchange, electrospray ionization tandem mass spectrometry (ESI/MS/MS) and nuclear magnetic resonance (NMR) spectroscopy Journal of Pharmaceutical and Biomedical Analysis 2003
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.