VESTIPITANT MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H24F7N3O.CH4O3S
Molecular Weight	587.551
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.C[C@@H](N(C)C(=O)N1CCNC[C@@H]1C2=CC=C(F)C=C2C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=BHECXGHXWKHZOY-DXPOFMJKSA-N

InChI=1S/C23H24F7N3O.CH4O3S/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30;1-5(2,3)4/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3;1H3,(H,2,3,4)/t14-,20-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C23H24F7N3O
Molecular Weight	491.445
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	CH4O3S
Molecular Weight	96.106
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 17:38:16 UTC 2023` Edited by `admin` on `Fri Dec 15 17:38:16 UTC 2023`
Record UNII	OWR424W90Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VESTIPITANT MESYLATE

Official Name

English

Vestipitant mesilate [WHO-DD]

Common Name

English

(+)-(2S)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYLPIPERAZINE-1-CARBOXAMIDE METHANESULFONATE

Systematic Name

English

1-PIPERAZINECARBOXAMIDE, N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL, (2S), MONOMETHANESULPHONATE

Common Name

English

GW597599B

Code

English

GW597588B

Code

English

GW-597588B

Code

English

(+)-(2S)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYLPIPERAZINE-1-CARBOXAMIDE METHANESULPHONATE

Systematic Name

English

VESTIPITANT MESILATE

Common Name

English

VESTIPITANT MESYLATE [USAN]

Common Name

English

1-PIPERAZINECARBOXAMIDE, N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL, (2S), MONOMETHANESULFONATE

Common Name

English

GW-597599B

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C267