U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C18H14F4N2O2S
Molecular Weight 398.3763
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BICALUTAMIDE SULFIDE

SMILES

CC(CSc1ccc(cc1)F)(C(=Nc2ccc(C#N)c(c2)C(F)(F)F)O)O

InChI

InChIKey=GCGWWKKSGPETMI-UHFFFAOYSA-N
InChI=1S/C18H14F4N2O2S/c1-17(26,10-27-14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C18H14F4N2O2S
Molecular Weight 398.3763
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:56:52 UTC 2021
Edited
by admin
on Sat Jun 26 12:56:52 UTC 2021
Record UNII
135IE10O4Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BICALUTAMIDE SULFIDE
Common Name English
(2RS)-N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFANYL)-2-HYDROXY-2-METHYLPROPANAMIDE
Systematic Name English
PROPANAMIDE, N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)THIO)-2-HYDROXY-2-METHYL-
Systematic Name English
N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-(4-FLUOROPHENYLSULFANYL)-2-HYDROXY-2-METHYLPROPIONAMIDE
Systematic Name English
BICALUTAMIDE SULFIDE, (+/-)-
Common Name English
BICALUTAMIDE IMPURITY J [EP]
Common Name English
N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)THIO)-2-HYDROXY-2-METHYLPROPANAMIDE
Systematic Name English
PROPANAMIDE, N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)THIO)-2-HYDROXY-2-METHYL-, (+/-)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9800987
Created by admin on Sat Jun 26 12:56:52 UTC 2021 , Edited by admin on Sat Jun 26 12:56:52 UTC 2021
PRIMARY
CAS
90356-78-8
Created by admin on Sat Jun 26 12:56:52 UTC 2021 , Edited by admin on Sat Jun 26 12:56:52 UTC 2021
PRIMARY
FDA UNII
135IE10O4Y
Created by admin on Sat Jun 26 12:56:52 UTC 2021 , Edited by admin on Sat Jun 26 12:56:52 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP