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Zuranolone 5mg

CAT: 0628-A19805-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19805-5Size:5 mg
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CAS Number
1632051-40-1

Chemical Information

Zuranolone

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.

CAS Number1632051-40-1
PubChem CID86294073
IUPAC Name1-[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 FormulaC25H35N3O2
Molecular Weight409.6
XLogP4.5
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity746
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
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
InChIKey
HARRKNSQXBRBGZ-GVKWWOCJSA-N
Chemical Structure
2D Structure
2D structure of Zuranolone
CAS: 1632051-40-1
CID: 86294073
Formula: C25H35N3O2
MW: 409.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass409.27292737
Monoisotopic Mass409.27292737
Topological Polar Surface Area78.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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