ChemSpider 2D Image | (4aR,4bS,6aS,7S,9aR,9bS,11aR)-4a,6a-Dimethyl-N-(2-methyl-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 | C23H36N2O2

(4aR,4bS,6aS,7S,9aR,9bS,11aR)-4a,6a-Dimethyl-N-(2-methyl-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

  • Molecular FormulaC23H36N2O2
  • Average mass372.544 Da
  • Monoisotopic mass372.277679 Da
  • ChemSpider ID26232132

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aR,4bS,6aS,7S,9aR,9bS,11aR)-4a,6a-Dimethyl-N-(2-methyl-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,9aR,9bS,11aR)-4a,6a-Diméthyl-N-(2-méthyl-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,9aR,9bS,11aR)-4a,6a-Dimethyl-N-(2-methyl-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]
1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aR,9bS,11aR)- [ACD/Index Name]
(5a,17b)-N-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide
[98319-26-7] [RN]
CL5245000
Finasteride [BAN] [INN] [USAN] [USP] [Wiki]
LDN 193719 | 1LWY | VU0469381 |
MK 906 |

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

MK 906 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Antiandrogen that inhibits type II 5? reductase (IC50 = 65 nM). Suppresses the conversion of testosterone to dihydrotestosterone. Reduces prostatic dihydrotestosterone levels and prostate size in vivo . Orally active. Tocris Bioscience 3293
      Antiandrogen that inhibits type II 5? reductase (IC50 = 65 nM). Suppresses the conversion of testosterone to dihydrotestosterone. Reduces prostatic dihydrotestosterone levels and prostate size in vivo. Orally active. Tocris Bioscience 3293
      Antiandrogen that inhibits type II 5alpha reductase (IC50 = 65 nM). Suppresses the conversion of testosterone to dihydrotestosterone. Reduces prostatic dihydrotestosterone levels and prostate size in vivo. Orally active. Tocris Bioscience 3293
      Enzymes Tocris Bioscience 3293
      Other Reductase Tocris Bioscience 3293
      Reductases Tocris Bioscience 3293
      Type II 5?-reductase inhibitor Tocris Bioscience 3293
      Type II 5alpha-reductase inhibitor Tocris Bioscience 3293

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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