ORVEPITANT MALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H35F7N4O2.C4H4O4
Molecular Weight	744.6962
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.[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=IPACOHTZCSBGBV-WUXDIRCFSA-N

InChI=1S/C31H35F7N4O2.C4H4O4/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;5-3(6)1-2-4(7)8/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/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	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:28:21 UTC 2023` Edited by `admin` on `Fri Dec 15 17:28:21 UTC 2023`
Record UNII	HAX0H28B6W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORVEPITANT MALEATE

Official 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-, (2R,4S)-, (2Z)-2-BUTENEDIOATE (1:1)

Common Name

English

GW823296B

Code

English

GW-823296B

Code

English

(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]

Common Name

English

ORVEPITANT MALEATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C265