VESTIPITANT

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H24F7N3O
Molecular Weight	491.445
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VESTIPITANT

Structure Search

SMILES

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=SBBYBXSFWOLDDG-JLTOFOAXSA-N

InChI=1S/C23H24F7N3O/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/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:11:14 UTC 2023` Edited by `admin` on `Fri Dec 15 16:11:14 UTC 2023`
Record UNII	S052TOI9BI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VESTIPITANT

Official Name

English

GW-597599

Code

English

vestipitant [INN]

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

GW597599

Common Name

English

Vestipitant [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C267

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

Code System Code Type Description

SMS_ID

100000092720

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

CAS

334476-46-9

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

EVMPD

SUB29227

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

DRUG BANK

DB11949

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

WIKIPEDIA

VESTIPITANT

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

MESH

C534550

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

PUBCHEM

9832383

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

FDA UNII

S052TOI9BI

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

ChEMBL

CHEMBL522987

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

NCI_THESAURUS

C95194

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

EPA CompTox

DTXSID50187092

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

INN

8522

Created by admin on Fri Dec 15 16:11:14 UTC 2023 , Edited by admin on Fri Dec 15 16:11:14 UTC 2023

PRIMARY

Related Record Type Details


					6OU487748Q

SUBSTANCE-P RECEPTOR

TARGET -> INHIBITOR

Amount:


					OWR424W90Q

VESTIPITANT MESYLATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					S052TOI9BI

ACTIVE MOIETY