Androstan-17-one, 3-ethynyl-3-hydroxy-, oxime, (3beta,5alpha,17e)-
(3S,5S,8R,9S,10S,13S,14S,17E)-3-ethynyl-17-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Identity
Androstan-17-one, 3-ethynyl-3-hydroxy-, oxime, (3beta,5alpha,17e)-
(3S,5S,8R,9S,10S,13S,14S,17E)-3-ethynyl-17-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID: 132190533
2D Structure
Properties
C21H31NO2
Molecular Formula
329.50
Molecular Weight
g/mol
329.2355
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
52.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
619
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4=NO)C)(C#C)OIsomeric SMILES
SMILES: C[C@]12CC[C@](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]\4([C@H]3CC/C4=N\O)C)(C#C)OSynonyms(20)
Golexanolone2089238-18-49C48F08TP2GR3027GR-3027DTXSID601190341Androstan-17-one, 3-ethynyl-3-hydroxy-, oxime, (3beta,5alpha,17E)-(3S,5S,8R,9S,10S,13S,14S,17E)-3-ethynyl-17-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-olgolexanolonagolexanolonum(3S,5S,8R,9S,10S,13S,14S,17E)-3-ethynyl-17-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:144117DTXCID601621609Golexanolone [INN]UNII-9C48F08TP2
Data from PubChem (NCBI)
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Molecular Structure
Androstan-17-one, 3-ethynyl-3-hydroxy-, oxime, (3beta,5alpha,17e)-
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Drug Network
Trials and conditions connected to Androstan-17-one, 3-ethynyl-3-hydroxy-, oxime, (3beta,5alpha,17e)-
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