Molecular Identity
Isopregnanolone
1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
PubChem CID: 92787
3beta-hydroxy-5alpha-pregnan-20-one is a 3-hydroxy-5alpha-pregnan-20-one.
2D Structure
Properties
C21H34O2
Molecular Formula
318.50
Molecular Weight
g/mol
318.2559
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
500
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)CIsomeric SMILES
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)CSynonyms(20)
Isopregnanolone516-55-2Sepranolone5alpha-Pregnan-3beta-ol-20-oneAllopregnan-3beta-ol-20-oneIsoallopregnanolone3beta-Hydroxy-5alpha-pregnan-20-oneSepranolona3-beta-Hydroxy-5-alpha-pregnan-20-one3P8Z6V53MUNSC-97078UC1010UC-1010(3beta,5alpha)-3-hydroxypregnan-20-oneCHEBI:11909
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Isopregnanolone
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