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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

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

Approval Year

Unknown
86413
Name Type Language
VESTIPITANT
INN   WHO-DD  
INN  
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
ACTIVE MOIETY
Structure of VESTIPITANT
SALT/SOLVATE (PARENT)
Structure of VESTIPITANT MESYLATE
NIH
NCATS
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