ChemSpider 2D Image | Finasteride-d9 | C23H27D9N2O2

Finasteride-d9

  • Molecular FormulaC23H27D9N2O2
  • Average mass381.600 Da
  • Monoisotopic mass381.334167 Da
  • ChemSpider ID29738758

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-N-[2-(2H3)methyl(2H6)-2-propanyl]-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]chinolin-7-carboxamid [German] [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Diméthyl-N-[2-(2H3)méthyl(2H6)-2-propanyl]-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tétradécahydro-1H-indéno[5,4-f]quinoléine-7-carboxamide [French] [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-N-[2-(2H3)methyl(2H6)-2-propanyl]-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide [ACD/IUPAC Name]
1131342-85-2 [RN]
1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)- [ACD/Index Name]
Finasteride-d9
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
1217547-06-2 [RN]
MFCD07369399 [MDL number]
SS-4474

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 576.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.3±3.0 kJ/mol
    Flash Point: 177.4±30.3 °C
    Index of Refraction: 1.524
    Molar Refractivity: 106.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.24
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 115.06
    ACD/KOC (pH 5.5): 1039.47
    ACD/LogD (pH 7.4): 3.01
    ACD/BCF (pH 7.4): 115.06
    ACD/KOC (pH 7.4): 1039.48
    Polar Surface Area: 58 Å2
    Polarizability: 42.4±0.5 10-24cm3
    Surface Tension: 37.8±3.0 dyne/cm
    Molar Volume: 349.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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