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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-METHOXY-19-NOR-17-ALPHA-PREGN-4-EN-20-YN-3-ONE

SMILES

CO[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C

InChI

InChIKey=DAEJUBCJIOSUFB-XUDSTZEESA-N
InChI=1S/C21H28O2/c1-4-21(23-3)12-10-19-18-7-5-14-13-15(22)6-8-16(14)17(18)9-11-20(19,21)2/h1,13,16-19H,5-12H2,2-3H3/t16-,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17-METHOXY-19-NOR-17-ALPHA-PREGN-4-EN-20-YN-3-ONE
Systematic Name English
19-NOR-17-ALPHA-PREGN-4-EN-20-YN-3-ONE, 17-METHOXY-
Preferred Name English
Code System Code Type Description
CAS
70795-38-9
Created by admin on Mon Mar 31 22:09:26 GMT 2025 , Edited by admin on Mon Mar 31 22:09:26 GMT 2025
PRIMARY
FDA UNII
UUB4F22ZWH
Created by admin on Mon Mar 31 22:09:26 GMT 2025 , Edited by admin on Mon Mar 31 22:09:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID60221057
Created by admin on Mon Mar 31 22:09:26 GMT 2025 , Edited by admin on Mon Mar 31 22:09:26 GMT 2025
PRIMARY
PUBCHEM
56841047
Created by admin on Mon Mar 31 22:09:26 GMT 2025 , Edited by admin on Mon Mar 31 22:09:26 GMT 2025
PRIMARY