ChemSpider 2D Image | Zuranolone | C25H35N3O2

Zuranolone

  • Molecular FormulaC25H35N3O2
  • Average mass409.564 Da
  • Monoisotopic mass409.272919 Da
  • ChemSpider ID71117610

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[(3α,5β)-3-Hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1-[(3α,5β)-3-Hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1-[(3α,5β)-3-Hydroxy-3-méthyl-20-oxo-19-norprégnan-21-yl]-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1-{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-carbonitrile
1632051-40-1 [RN]
1H-Pyrazole-4-carbonitrile, 1-[2-[(3α,5β,17β)-3-hydroxy-3-methylestran-17-yl]-2-oxoethyl]- [ACD/Index Name]
Zuranolone [INN] [USAN]
Zurzuvae [Trade name]
BS-15950
MFCD31619241

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SAGE-217 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 574.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 301.1±24.6 °C
Index of Refraction: 1.679
Molar Refractivity: 116.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 754.93
ACD/KOC (pH 5.5): 3995.81
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 754.93
ACD/KOC (pH 7.4): 3995.81
Polar Surface Area: 79 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 308.0±7.0 cm3

Click to predict properties on the Chemicalize site


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