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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H15F4N3O4S
Molecular Weight 469.409
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-(4-CARBAMOYL-3-(TRIFLUOROMETHYL)PHENYL)-5,5-DIMETHYL-4-OXO-2-THIOXO-IMIDAZOLIDIN-1-YL)-2-FLUORO-BENZOIC ACID

SMILES

CC1(C)N(C(=S)N(C1=O)C2=CC(=C(C=C2)C(N)=O)C(F)(F)F)C3=CC=C(C(O)=O)C(F)=C3

InChI

InChIKey=WOILFDBBAKATCG-UHFFFAOYSA-N
InChI=1S/C20H15F4N3O4S/c1-19(2)17(31)26(9-3-5-11(15(25)28)13(7-9)20(22,23)24)18(32)27(19)10-4-6-12(16(29)30)14(21)8-10/h3-8H,1-2H3,(H2,25,28)(H,29,30)

HIDE SMILES / InChI

Molecular Formula C20H15F4N3O4S
Molecular Weight 469.409
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:25:41 UTC 2023
Edited
by admin
on Thu Jul 06 20:25:41 UTC 2023
Record UNII
DTM3GJC5NY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3-(4-CARBAMOYL-3-(TRIFLUOROMETHYL)PHENYL)-5,5-DIMETHYL-4-OXO-2-THIOXO-IMIDAZOLIDIN-1-YL)-2-FLUORO-BENZOIC ACID
Systematic Name English
ENZALUTAMIDE METABOLITE M10
Common Name English
Code System Code Type Description
FDA UNII
DTM3GJC5NY
Created by admin on Thu Jul 06 20:25:41 UTC 2023 , Edited by admin on Thu Jul 06 20:25:41 UTC 2023
PRIMARY
PUBCHEM
155928979
Created by admin on Thu Jul 06 20:25:41 UTC 2023 , Edited by admin on Thu Jul 06 20:25:41 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
In urine, M10 was a minor metabolite, which accounted for 0.67% of the dose. In feces, M10 was one of the most abundant 14C-components, and it accounted for 4.26% of the radioactive dose.
FECAL; URINE