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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O3
Molecular Weight 340.4559
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 19-NORPREGN-5-EN-20-YN-3-ONE, 17-(ACETYLOXY)-, (17.ALPHA.)-

SMILES

[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]3([H])[C@@]4([H])CCC(=O)CC4=CC[C@@]23[H]

InChI

InChIKey=KDYGOTULHKNOFI-ZCPXKWAGSA-N
InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,5,17-20H,6-13H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
19-NORPREGN-5-EN-20-YN-3-ONE, 17-(ACETYLOXY)-, (17.ALPHA.)-
Common Name English
NORETHISTERONE ACETATE IMPURITY C [EP IMPURITY]
Common Name English
5,6-DIDEHYDRONORETHINDRONE ACETATE
Common Name English
Code System Code Type Description
CAS
1175129-26-6
Created by admin on Sat Dec 16 16:18:33 GMT 2023 , Edited by admin on Sat Dec 16 16:18:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID90858214
Created by admin on Sat Dec 16 16:18:33 GMT 2023 , Edited by admin on Sat Dec 16 16:18:33 GMT 2023
PRIMARY
PUBCHEM
71751193
Created by admin on Sat Dec 16 16:18:33 GMT 2023 , Edited by admin on Sat Dec 16 16:18:33 GMT 2023
PRIMARY
FDA UNII
YMG2T3UXE3
Created by admin on Sat Dec 16 16:18:33 GMT 2023 , Edited by admin on Sat Dec 16 16:18:33 GMT 2023
PRIMARY