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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31ClF6N2O2
Molecular Weight 564.991
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLORODUTASTERIDE

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C[C@H](Cl)[C@]34C)[C@@H]1CC[C@@H]2C(=O)NC5=CC(=CC=C5C(F)(F)F)C(F)(F)F

InChI

InChIKey=MKZGQDFQXQLWNU-GHAADPNPSA-N
InChI=1S/C27H31ClF6N2O2/c1-24-10-9-16-14(4-8-21-25(16,2)20(28)12-22(37)36-21)15(24)6-7-18(24)23(38)35-19-11-13(26(29,30)31)3-5-17(19)27(32,33)34/h3,5,11,14-16,18,20-21H,4,6-10,12H2,1-2H3,(H,35,38)(H,36,37)/t14-,15-,16-,18+,20-,21+,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H31ClF6N2O2
Molecular Weight 564.991
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:34:23 GMT 2025
Edited
by admin
on Wed Apr 02 13:34:23 GMT 2025
Record UNII
28M2S92FVB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLORODUTASTERIDE
Common Name English
DUTASTERIDE IMPURITY F [EP IMPURITY]
Preferred Name English
N-(2,5-BIS(TRIFLUOROMETHYL)PHENYL)-1.ALPHA.-CHLORO-3-OXO-4-AZA-5.ALPHA.-ANDROSTANE-17.BETA.-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
56940811
Created by admin on Wed Apr 02 13:34:23 GMT 2025 , Edited by admin on Wed Apr 02 13:34:23 GMT 2025
PRIMARY
FDA UNII
28M2S92FVB
Created by admin on Wed Apr 02 13:34:23 GMT 2025 , Edited by admin on Wed Apr 02 13:34:23 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP