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

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, (R)-

SMILES

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

InChI

InChIKey=LKJPYSCBVHEWIU-KRWDZBQOSA-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-/m0/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 Sat Dec 16 09:44:52 UTC 2023
Edited
by admin
on Sat Dec 16 09:44:52 UTC 2023
Record UNII
Z9DL98I0AF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BICALUTAMIDE, (R)-
Common Name English
(R)-BICALUTAMIDE
Common Name English
PROPANAMIDE, N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFONYL)-2-HYDROXY-2-METHYL-, (2R)-
Systematic Name English
(-)-BICALUTAMIDE
Common Name English
BICALUTAMIDE, (-)-
Common Name English
AZD-1907
Code English
(R)-CASODEX
Brand Name English
R-BICALUTAMIDE
Common Name English
Code System Code Type Description
CAS
113299-40-4
Created by admin on Sat Dec 16 09:44:52 UTC 2023 , Edited by admin on Sat Dec 16 09:44:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID501016794
Created by admin on Sat Dec 16 09:44:52 UTC 2023 , Edited by admin on Sat Dec 16 09:44:52 UTC 2023
PRIMARY
CHEBI
39589
Created by admin on Sat Dec 16 09:44:52 UTC 2023 , Edited by admin on Sat Dec 16 09:44:52 UTC 2023
PRIMARY
DRUG BANK
DB02932
Created by admin on Sat Dec 16 09:44:52 UTC 2023 , Edited by admin on Sat Dec 16 09:44:52 UTC 2023
PRIMARY
FDA UNII
Z9DL98I0AF
Created by admin on Sat Dec 16 09:44:52 UTC 2023 , Edited by admin on Sat Dec 16 09:44:52 UTC 2023
PRIMARY
PUBCHEM
56069
Created by admin on Sat Dec 16 09:44:52 UTC 2023 , Edited by admin on Sat Dec 16 09:44:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT->ACTIVE ISOMER
Related Record Type Details
METABOLITE -> PARENT
BILE