Basic Information
ID DDInter1160
Drug Type small molecule
Molecular Formula C21H26O2
Molecular Weight 310.430
CAS Number 72-33-3
Description The 3-methyl ether of ethinyl estradiol. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL contraceptives.
ATC Classification -
IUPAC Name (1R,3aS,3bR,9bS,11aS)-1-ethynyl-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol
InChI IMSSROKUHAOUJS-MJCUULBUSA-N
Canonical SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3
Useful Links DrugBank ChEBI PubChem Substance KEGG Compound KEGG Drug ChemSpider PharmGKB Therapeutic Targets Database Wikipedia ChEMBL ZINC
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