Etonogestrel
(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular Identity
Etonogestrel
(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
PubChem CID: 6917715
Etonogestrel is a 17beta-hydroxy steroid, a 3-oxo-Delta(4) steroid and a terminal acetylenic compound. It has a role as a contraceptive drug, a female contraceptive drug and a progestin.
2D Structure
Properties
C22H28O2
Molecular Formula
324.50
Molecular Weight
g/mol
324.2089
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
677
Complexity
SMILES
Canonical SMILES
SMILES: CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34Isomeric SMILES
SMILES: CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34Synonyms(20)
ETONOGESTREL54048-10-1Implanon3-Ketodesogestrel3-OxodesogestrelnexplanonOrg-32363-Keto-desogestreletonogestrelumORG 3236(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-oneDTXSID9046782304GTH6RNH13-Ethyl-17-hydroxy-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-3-oneDTXCID7026782
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Etonogestrel
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