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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H14F4N2O4S
Molecular Weight 430.3751
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BICALUTAMIDE, (S)-

SMILES

C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=Nc2ccc(C#N)c(c2)C(F)(F)F)O)O

InChI

InChIKey=LKJPYSCBVHEWIU-QGZVFWFLSA-N
InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)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)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H14F4N2O4S
Molecular Weight 430.3751
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 Sat Jun 26 08:54:20 UTC 2021
Edited
by admin
on Sat Jun 26 08:54:20 UTC 2021
Record UNII
R8K39AN732
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BICALUTAMIDE, (S)-
Common Name English
(S)-CASODEX
Brand Name English
(+)-BICALUTAMIDE
Common Name English
PROPANAMIDE, N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFONYL)-2-HYDROXY-2-METHYL-, (2S)-
Systematic Name English
(S)-BICALUTAMIDE
Common Name English
Code System Code Type Description
PUBCHEM
441405
Created by admin on Sat Jun 26 08:54:20 UTC 2021 , Edited by admin on Sat Jun 26 08:54:20 UTC 2021
PRIMARY
FDA UNII
R8K39AN732
Created by admin on Sat Jun 26 08:54:20 UTC 2021 , Edited by admin on Sat Jun 26 08:54:20 UTC 2021
PRIMARY
CAS
113299-38-0
Created by admin on Sat Jun 26 08:54:20 UTC 2021 , Edited by admin on Sat Jun 26 08:54:20 UTC 2021
PRIMARY
Related Record Type Details
PARENT->INACTIVE ISOMER
Bicalutamide is a racemate and its antiandrogenic activity resides almost exclusively in the (R)-enantiomer, with little, if any, activity in the (S)-enantiomer.