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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31F6N3O
Molecular Weight 527.545
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FIGOPITANT

SMILES

CN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H](N2CCN(CC3CC3)CC2)C4=CC=CC=C4

InChI

InChIKey=HUTHJVYJUPXHDF-DEOSSOPVSA-N
InChI=1S/C27H31F6N3O/c1-34(10-9-20-15-22(26(28,29)30)17-23(16-20)27(31,32)33)25(37)24(21-5-3-2-4-6-21)36-13-11-35(12-14-36)18-19-7-8-19/h2-6,15-17,19,24H,7-14,18H2,1H3/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H31F6N3O
Molecular Weight 527.545
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:13:46 UTC 2023
Edited
by admin
on Fri Dec 15 16:13:46 UTC 2023
Record UNII
23X73B9O6Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FIGOPITANT
INN  
INN  
Official Name English
BIIF 1149 BS
Code English
(S)-N-(BIS(3,5-TRIFLUOROMETHYL)PHENETHYL)-4-(CYCLOPROPYLMETHYL)-N-METHYL-.ALPHA.-PHENYL-1-PIPERAZINEACETAMIDE
Common Name English
BIIF-1149 BS
Code English
figopitant [INN]
Common Name English
BIIF-1149-BS
Code English
Classification Tree Code System Code
NCI_THESAURUS C267
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID20964539
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
PRIMARY
PUBCHEM
9914857
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
PRIMARY
FDA UNII
23X73B9O6Q
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
PRIMARY
INN
7944
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104927
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
PRIMARY
DRUG BANK
DB12122
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
PRIMARY
NCI_THESAURUS
C81498
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
PRIMARY
SMS_ID
300000034172
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
PRIMARY
MESH
C574094
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
PRIMARY
CAS
502422-74-4
Created by admin on Fri Dec 15 16:13:46 UTC 2023 , Edited by admin on Fri Dec 15 16:13:46 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY