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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O2
Molecular Weight 326.4724
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.ALPHA.-HYDROXYDESOGESTREL

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]3([H])[C@@]4([H])CC[C@@H](O)C=C4CC[C@@]23[H]

InChI

InChIKey=ZMLDTNLDYRJTAZ-JASYKLOUSA-N
InChI=1S/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16-,17+,18+,19+,20-,21+,22+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3.ALPHA.-HYDROXYDESOGESTREL
Common Name English
18,19-DINORPREGN-4-EN-20-YNE-3,17-DIOL, 13-ETHYL-11-METHYLENE-, (3.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
70805-84-4
Created by admin on Sat Dec 16 08:44:05 GMT 2023 , Edited by admin on Sat Dec 16 08:44:05 GMT 2023
PRIMARY
PUBCHEM
29981456
Created by admin on Sat Dec 16 08:44:05 GMT 2023 , Edited by admin on Sat Dec 16 08:44:05 GMT 2023
PRIMARY
FDA UNII
5B0JZH6AB6
Created by admin on Sat Dec 16 08:44:05 GMT 2023 , Edited by admin on Sat Dec 16 08:44:05 GMT 2023
PRIMARY