Zuranolone
1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
Molecular Identity
Zuranolone
1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
PubChem CID: 86294073
Zuranolone is a 3-hydroxy steroid that is 5beta-19-norpregnane substituted by hydroxy, methyl, oxo, and 4-cyano-1H-pyrazol-1-yl groups at positions 3, 3, 20 and 21, respectively. It is a positive allosteric modulator of GABAA receptor developed by Sage Therapeutics and Biogen for the treatment of postpartum depression in adults. It has a role as an antidepressant, an anticonvulsant and a GABA modulator. It is a nitrile, a member of pyrazoles, a 3-hydroxy steroid and a 20-oxo steroid.
2D Structure
Properties
C25H35N3O2
Molecular Formula
409.60
Molecular Weight
g/mol
409.2729
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
78.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
746
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Zuranolone1632051-40-1SAGE-217ZurzuvaeSGE-797zuranolonum1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrileS-8122177ZW49N180BDTXSID6011285003beta-Methyl-21-(4-cyano-1H-pyrazol-1'-yl)-19-norpregnanolone3alpha-Hydroxy-3beta-methyl-21-(4-cyano-1H-pyrazol-1'-yl)-19-nor-5beta-pregnan-20-one1-(3alpha-Hydroxy-3beta-methyl-20-oxo-19-nor-5beta-pregnan-21-yl)-1H-pyrazole-4-carbonitrile1-{2-[(1S,3aS,3bR,5aR,7R,9aS,9bR,11aS)-7-hydroxy-7,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl}-1H-pyrazole-4-carbonitrile1H-Pyrazole-4-carbonitrile, 1-((3alpha,5beta)-3-hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl)-
Data from PubChem (NCBI)
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