ChemSpider 2D Image | Finasteride Carboxylic Acid | C23H34N2O4

Finasteride Carboxylic Acid

  • Molecular FormulaC23H34N2O4
  • Average mass402.527 Da
  • Monoisotopic mass402.251862 Da
  • ChemSpider ID18612025

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

116285-37-1 [RN]
Alanine, 2-methyl-N-[[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinolin-7-yl]carbonyl]- [ACD/Index Name]
Finasteride Carboxylic Acid
N-{[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]chinolin-7-yl]carbonyl}-2-methylalanin [German] [ACD/IUPAC Name]
N-{[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Diméthyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tétradécahydro-1H-indéno[5,4-f]quinoléin-7-yl]carbonyl}-2-méthylalanine [French] [ACD/IUPAC Name]
N-{[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinolin-7-yl]carbonyl}-2-methylalanine [ACD/IUPAC Name]
2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]-2-methylpropanoic acid
2-METHYL-N-[[(5α,17β)-3-OXO-4-AZAANDROST-1-EN-17-YL]CARBONYL]-ALANINE
Alanine,2-methyl-N-[[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinolin-7-yl]carbonyl]-
FinasterideCarboxylicAcid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

K71S04GO1T [DBID]
UNII:K71S04GO1T [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 658.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.7±6.0 kJ/mol
    Flash Point: 351.9±31.5 °C
    Index of Refraction: 1.543
    Molar Refractivity: 108.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.34
    ACD/LogD (pH 5.5): 0.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.26
    ACD/LogD (pH 7.4): -1.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 43.0±0.5 10-24cm3
    Surface Tension: 44.4±3.0 dyne/cm
    Molar Volume: 344.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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