Molecular Identity
Ethinylestradiol
(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
PubChem CID: 5991
Ethinylestradiol can cause cancer according to an independent committee of scientific and health experts.
2D Structure
Properties
C20H24O2
Molecular Formula
296.40
Molecular Weight
g/mol
296.1776
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
505
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OSynonyms(20)
ethinyl estradiolETHINYLESTRADIOL57-63-6EthynylestradiolEthynyl estradiolEthinyloestradiolEstinyl17-EthinylestradiolGinestreneLynoral17alpha-EthynylestradiolProgynon CEtinoestrylAmenoronDyloform
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ethinylestradiol
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