ORVEPITANT MALEATE
(2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(Z)-but-2-enedioic acid
Molecular Identity
ORVEPITANT MALEATE
(2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(Z)-but-2-enedioic acid
PubChem CID: 44225656
2D Structure
Properties
C35H39F7N4O6
Molecular Formula
744.70
Molecular Weight
g/mol
744.2758
Exact Mass
Da
122
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
14
H-Bond Acceptors
1140
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ORVEPITANT MALEATE579475-24-4Orvepitant maleate [USAN]GW823296BUNII-HAX0H28B6WHAX0H28B6WGW 823296BGW-823296BOrvepitant maleate (USAN)1-PIPERIDINECARBOXAMIDE, N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-4-((8AS)-HEXAHYDRO-6-OXOPYRROLO(1,2-A)PYRAZIN-2(1H)-YL)-N-METHYL-, (2R,4S)-, (2Z)-2-BUTENEDIOATE (1:1)(2R,4S)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-4-((8AS)-6-OXOHEXAHYDROPYRROLO(1,2-A)PYRAZIN-2(1H)-YL)PIPERIDINE-1-CARBOXAMIDE HYDROGEN MONO((2Z)-BUT-2-ENEDIOATE)(2R,4S)-N-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4-[(8aS)-6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]piperidine-1-carboxamide hydrogen mono[(2Z)-but-2-enedioate]RefChem:168633Orvepitant (maleate)(2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(Z)-but-2-enedioic acid
Data from PubChem (NCBI)
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