Molecular Identity
Gestrinone
(8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
PubChem CID: 27812
Gestrinone is an oxo steroid.
2D Structure
Properties
C21H24O2
Molecular Formula
308.40
Molecular Weight
g/mol
308.1776
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
713
Complexity
SMILES
Canonical SMILES
SMILES: CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)OIsomeric SMILES
SMILES: CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)OSynonyms(20)
Gestrinone16320-04-0DimetrioseEthylnorgestrienoneGestrinonaR-2323GestrinonumRU 2323Ru-2323DTXSID4023094R 2323A-46745(8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one1421533RCMA 46 745
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gestrinone
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