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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H22F4N2O10S
Molecular Weight 606.497
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BICALUTAMIDE O-.BETA.-D-GLUCURONIDE, (R)-

SMILES

C[C@@](CS(=O)(=O)C1=CC=C(F)C=C1)(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(=O)NC3=CC=C(C#N)C(=C3)C(F)(F)F

InChI

InChIKey=OYKHNYWINRLUAP-FGMNDQGESA-N
InChI=1S/C24H22F4N2O10S/c1-23(10-41(37,38)14-6-3-12(25)4-7-14,40-21-18(33)16(31)17(32)19(39-21)20(34)35)22(36)30-13-5-2-11(9-29)15(8-13)24(26,27)28/h2-8,16-19,21,31-33H,10H2,1H3,(H,30,36)(H,34,35)/t16-,17-,18+,19-,21-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H22F4N2O10S
Molecular Weight 606.497
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
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
CU5B2T53UJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BICALUTAMIDE O-.BETA.-D-GLUCURONIDE, (R)-
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1R)-2-((4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)AMINO)-1-(((4-FLUOROPHENYL)SULFONYL)METHYL)-1-METHYL-2-OXOETHYL
Preferred Name English
Code System Code Type Description
PUBCHEM
96358733
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
1476745-89-7
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
CU5B2T53UJ
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 -> METABOLITE