Basic Information
ID DDInter692
Drug Type small molecule
Molecular Formula C20H24O2
Molecular Weight 296.403
CAS Number 57-63-6
Description Ethinylestradiol was first synthesized in 1938 by Hans Herloff Inhoffen and Walter Hohlweg at Schering.[A191107] It was developed in an effort to create an estrogen with greater oral bioavailability.[A191107] These properties were achieved by the substitution of an ethinyl group at carbon 17 of [estradiol].[A191107] Ethinylestradiol soon replaced [mestranol] in contraceptive pills.[A191107] Ethinylestradiol was granted FDA approval on 25 June 1943.[L11884]
ATC Classification G03AA15 G03AA11 L02AA03 G03AA12 G03AA16 G03AB02 G03CA01 G03AA03 G03AA10 G03AB04 G03AB01 G03AB07 G03AA13 G03AA06 G03AA08 G03AA02 G03AA04 G03AA09 G03AB09 G03AA07 G03AB03 G03AA05 G03AB05 G03AB06 G03AA01
IUPAC Name (1R,3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
InChI BFPYWIDHMRZLRN-SLHNCBLASA-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(O)C=C3
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