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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H14F4N2O4S
Molecular Weight 430.373
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

C[C@@](O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F

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 430.373
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 Mon Mar 31 22:49:46 GMT 2025
Edited
by admin
on Mon Mar 31 22:49:46 GMT 2025
Record UNII
R8K39AN732
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-CASODEX
Preferred Name English
BICALUTAMIDE, (S)-
Common 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 Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025
PRIMARY
FDA UNII
R8K39AN732
Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025
PRIMARY
CAS
113299-38-0
Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025
PRIMARY
SMS_ID
100000181054
Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025
PRIMARY
CHEBI
144094
Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID70861120
Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025
PRIMARY
Related Record Type Details
PARENT->INACTIVE ISOMER
Related Record Type Details
METABOLITE -> PARENT
MAJOR
FECAL; URINE