Allopregnanolone
From DrugPedia: A Wikipedia for Drug discovery
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Description
A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.
General Properties
*Molecular Weight
318.49
*Molecular Formula
C21H34O2
*IUPAC NAME
1-[(3R,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
*Canonical Smiles
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
*Isomeric 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)C
PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility