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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32O5
Molecular Weight 412.5186
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-methoxy-3,20-dioxo-1?,2?-dihydro-3?H-cyclopropa[1,2]pregna-1,4,6-trien-17-yl acetate

SMILES

COC1=C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]4(C)[C@H]5C[C@H]5C(=O)C=C14

InChI

InChIKey=QZCZEJRELOTBTR-KKTSRGLHSA-N
InChI=1S/C25H32O5/c1-13(26)25(30-14(2)27)9-7-17-15-11-22(29-5)20-12-21(28)16-10-19(16)24(20,4)18(15)6-8-23(17,25)3/h11-12,15-19H,6-10H2,1-5H3/t15-,16+,17-,18-,19-,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H32O5
Molecular Weight 412.5186
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 17:37:35 GMT 2025
Edited
by admin
on Wed Apr 02 17:37:35 GMT 2025
Record UNII
NTE5FUS336
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYPROTERONE ACETATE IMPURITY B [EP IMPURITY]
Preferred Name English
6-methoxy-3,20-dioxo-1?,2?-dihydro-3?H-cyclopropa[1,2]pregna-1,4,6-trien-17-yl acetate
Systematic Name English
Code System Code Type Description
FDA UNII
NTE5FUS336
Created by admin on Wed Apr 02 17:37:35 GMT 2025 , Edited by admin on Wed Apr 02 17:37:35 GMT 2025
PRIMARY
PUBCHEM
71315541
Created by admin on Wed Apr 02 17:37:35 GMT 2025 , Edited by admin on Wed Apr 02 17:37:35 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY