ORVEPITANT HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H35F7N4O2.ClH
Molecular Weight	665.085
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]12CCC(=O)N1CCN(C2)[C@H]3CCN([C@H](C3)C4=CC=C(F)C=C4C)C(=O)N(C)[C@H](C)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChIKey=WKIIEDMRXGVSOO-ISFOHNRCSA-N

InChI=1S/C31H35F7N4O2.ClH/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38;/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3;1H/t19-,24+,25+,27-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C31H35F7N4O2
Molecular Weight	628.624
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:24:42 UTC 2023` Edited by `admin` on `Fri Dec 15 20:24:42 UTC 2023`
Record UNII	7IYQ30782X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORVEPITANT HYDROCHLORIDE

Common Name

English

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-, HYDROCHLORIDE (1:1), (2R,4S)-

Common Name

English

Code System Code Type Description

CAS

579475-21-1

Created by admin on Fri Dec 15 20:24:42 UTC 2023 , Edited by admin on Fri Dec 15 20:24:42 UTC 2023

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FDA UNII

7IYQ30782X

Created by admin on Fri Dec 15 20:24:42 UTC 2023 , Edited by admin on Fri Dec 15 20:24:42 UTC 2023

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PUBCHEM

71587763

Created by admin on Fri Dec 15 20:24:42 UTC 2023 , Edited by admin on Fri Dec 15 20:24:42 UTC 2023

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EPA CompTox

DTXSID20206668

Created by admin on Fri Dec 15 20:24:42 UTC 2023 , Edited by admin on Fri Dec 15 20:24:42 UTC 2023

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