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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H17F3N4O2S
Molecular Weight 446.445
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEFLUORO ENZALUTAMIDE

SMILES

CNC(=O)C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChIKey=GOTJOTNPYGBVOP-UHFFFAOYSA-N
InChI=1S/C21H17F3N4O2S/c1-20(2)18(30)27(15-9-6-13(11-25)16(10-15)21(22,23)24)19(31)28(20)14-7-4-12(5-8-14)17(29)26-3/h4-10H,1-3H3,(H,26,29)

HIDE SMILES / InChI

Molecular Formula C21H17F3N4O2S
Molecular Weight 446.445
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 23:54:39 UTC 2023
Edited
by admin
on Thu Jul 06 23:54:39 UTC 2023
Record UNII
74K9JK886T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEFLUORO ENZALUTAMIDE
Common Name English
BENZAMIDE, 4-(3-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-5,5-DIMETHYL-4-OXO-2-THIOXO-1-IMIDAZOLIDINYL)-N-METHYL-
Systematic Name English
ENZALUTAMIDE IMPURITY I
Common Name English
Code System Code Type Description
CAS
915087-16-0
Created by admin on Thu Jul 06 23:54:39 UTC 2023 , Edited by admin on Thu Jul 06 23:54:39 UTC 2023
PRIMARY
FDA UNII
74K9JK886T
Created by admin on Thu Jul 06 23:54:39 UTC 2023 , Edited by admin on Thu Jul 06 23:54:39 UTC 2023
PRIMARY
PUBCHEM
15951527
Created by admin on Thu Jul 06 23:54:39 UTC 2023 , Edited by admin on Thu Jul 06 23:54:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY