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Details

Stereochemistry ACHIRAL
Molecular Formula C20H13F4N3O3S
Molecular Weight 451.394
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENZALUTAMIDE CARBOXYLIC ACID

SMILES

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

InChI

InChIKey=MECDPCCFIDQBBP-UHFFFAOYSA-N
InChI=1S/C20H13F4N3O3S/c1-19(2)17(30)26(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)27(19)12-5-6-13(16(28)29)15(21)8-12/h3-8H,1-2H3,(H,28,29)

HIDE SMILES / InChI

Molecular Formula C20H13F4N3O3S
Molecular Weight 451.394
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 23:38:20 UTC 2023
Edited
by admin
on Thu Jul 06 23:38:20 UTC 2023
Record UNII
YF8MAL2HDY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENZALUTAMIDE CARBOXYLIC ACID
Common Name English
BENZOIC ACID, 4-(3-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-5,5-DIMETHYL-4-OXO-2-THIOXO-1-IMIDAZOLIDINYL)-2-FLUORO-
Systematic Name English
ENZALUTAMIDE METABOLITE M1
Common Name English
Code System Code Type Description
PUBCHEM
46898522
Created by admin on Thu Jul 06 23:38:20 UTC 2023 , Edited by admin on Thu Jul 06 23:38:20 UTC 2023
PRIMARY
CAS
1242137-15-0
Created by admin on Thu Jul 06 23:38:20 UTC 2023 , Edited by admin on Thu Jul 06 23:38:20 UTC 2023
PRIMARY
FDA UNII
YF8MAL2HDY
Created by admin on Thu Jul 06 23:38:20 UTC 2023 , Edited by admin on Thu Jul 06 23:38:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
In plasma, M1 accounted for 10% of the 14C-radioactivity. In urine, the most abundant 14C-component was M1 (62.7% of dose). In feces, the most abundant 14C-components were M1 and M10, which accounted for 3.34% and 4.26% of the radioactive dose, respectively.
FECAL; PLASMA; URINE