API0232955
Zuranolone
Zuranolone is a positive allosteric modulator of the GABAA receptor used for postpartum depression.
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CAS No.
1632051-40-1
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Synonyms
Zuranolone; SAGE-217; Zurzuvae
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CHEMBL ID
CHEMBL4105630
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Molecule Type
Small molecule
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Compound CID
86294073
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Molecular Weight (g/mol)
409.6
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Molecular Formula
C25H35N3O2
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InChI
InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1
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InChIKey
HARRKNSQXBRBGZ-GVKWWOCJSA-N
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SMILES
C[C@]1(CC[C@H]2[C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CN5C=C(C=N5)C#N)C)O
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IUPAC Name
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
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Exact Mass (Da)
409.27292737
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Monoisotopic Mass (Da)
409.27292737
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