Allopregnanolone

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

Also Known As: Allopregnanolone|Brexanolone|brexanolona|Zulresso|Allotetrahydroprogesterone|brexanolonum|3alpha,5alpha-THP|3alpha-OH DHP|Allopregnalone|Allopregnan-3alpha-ol-20-one|Epalon|Allopregnanolone?|Epiallopregnanolone|Brexanolone [USAN]|5alpha-Pregnan-3alpha-ol-20-one|Zulresso (TN)|(3a)-Allopregnanolone|SAGE-547|3alpha-hydroxy-5alpha-pregnan-20-one|tetrahydroprogesterone|3a,5a-Pregnanolone|3alpha-OH-DHP|(3alpha)-Allopregnanolone|3a,5a-THPROG|3a,5a-THP|3-alpha,5-alpha-Pregnanolone|(3|A)-Allopregnanolone|Allopregnan-3a-ol-20-one|3alpha-dihydroprogesterone|SGE-102|BREXANOLONE [INN]|3-a-tetrahydroprogesterone|Brexanolone (USAN/INN)|3a-Hydroxy-5a-pregnan-20-one|Biomol-NT_000266|(+)-3-Dihydroprogesterone|A-OH-DHP|Allopregnan-3?-ol-20-one|3a,5a-Tetrahydroprogesterone|Allopregnanolone(Brexanolone)|BIDD:PXR0069|5a-Pregnan-3a-ol-20-one|BREXANOLONE [WHO-DD]

Molecular Formula	C21H34O2
Molecular Weight	318.2559 g/mol
LogP	4.6
Topological Polar Surface Area	37.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	318.2559
Heavy Atoms	23
Complexity	500.1

Chemical Identifiers

CAS Number	516-54-1
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