Molecular Identity
Dienogest
2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
PubChem CID: 68861
Dienogest is a steroid hormone that is 17beta-hydroxy-3-oxoestra-4,9-diene substituted at position 17 by a cyanomethyl group. Used as an oral contraceptive. It has a role as a synthetic oral contraceptive, a progestin and a progesterone receptor agonist. It is a steroid hormone, a 17beta-hydroxy steroid, a 3-oxo-Delta(4) steroid and an aliphatic nitrile. It derives from a hydride of an estrane.
2D Structure
Properties
C20H25NO2
Molecular Formula
311.40
Molecular Weight
g/mol
311.1885
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
61.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
679
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Dienogest65928-58-7DienogestrilDienogestumEndometrionSTS 557STS-557MJR-3517alpha-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile46M3EV8HHEZK 37659M 18575M-1857517-alpha-Cyanomethyl-17-beta-hydroxy-estra-4,9(10)-dien-3-one19-Norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17alpha)-
Data from PubChem (NCBI)
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