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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31ClO5
Molecular Weight 434.953
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1?-(chloromethyl)-3,6,20-trioxopregn-4-en-17-yl acetate

SMILES

CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@]12C)C(C)=O

InChI

InChIKey=PLZRXEUJYCLWGJ-HAJWRMEISA-N
InChI=1S/C24H31ClO5/c1-13(26)24(30-14(2)27)8-6-18-17-11-21(29)20-10-16(28)9-15(12-25)23(20,4)19(17)5-7-22(18,24)3/h10,15,17-19H,5-9,11-12H2,1-4H3/t15-,17+,18+,19+,22+,23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H31ClO5
Molecular Weight 434.953
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:57:42 GMT 2025
Edited
by admin
on Wed Apr 02 16:57:42 GMT 2025
Record UNII
76PY7DHQ4V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYPROTERONE ACETATE IMPURITY D [EP IMPURITY]
Preferred Name English
1?-(chloromethyl)-3,6,20-trioxopregn-4-en-17-yl acetate
Systematic Name English
Code System Code Type Description
FDA UNII
76PY7DHQ4V
Created by admin on Wed Apr 02 16:57:42 GMT 2025 , Edited by admin on Wed Apr 02 16:57:42 GMT 2025
PRIMARY
PUBCHEM
168429495
Created by admin on Wed Apr 02 16:57:42 GMT 2025 , Edited by admin on Wed Apr 02 16:57:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY