ChemSpider 2D Image | Mebolazine | C42H68N2O2

Mebolazine

  • Molecular FormulaC42H68N2O2
  • Average mass633.002 Da
  • Monoisotopic mass632.528076 Da
  • ChemSpider ID28529142
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(2α,3E,5α,17β,2'α,3'E,5'α,17'β)-3,3'-[(1E,2E)-1,2-Hydrazindiyliden]bis(2,17-dimethylandrostan-17-ol) [German] [ACD/IUPAC Name]
(2α,3E,5α,17β,2'α,3'E,5'α,17'β)-3,3'-[(1E,2E)-1,2-Hydrazinediylidene]bis(2,17-dimethylandrostan-17-ol) [ACD/IUPAC Name]
(2α,3E,5α,17β,2'α,3'E,5'α,17'β)-3,3'-[(1E,2E)-1,2-Hydrazinediylidène]bis(2,17-diméthylandrostan-17-ol) [French] [ACD/IUPAC Name]
2605
Androstan-3-one, 17-hydroxy-2,17-dimethyl-, 2-[(2α,3E,5α,17β)-17-hydroxy-2,17-dimethylandrostan-3-ylidene]hydrazone, (2α,3E,5α,17β)- [ACD/Index Name]
Mebolazine [INN] [Wiki]
07/08/3625
08/07/3625

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

69C642I19V [DBID]
UNII:69C642I19V [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 684.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 474.5±20.8 °C
Index of Refraction: 1.649
Molar Refractivity: 185.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 10.02
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 103206.41
ACD/KOC (pH 5.5): 36531.57
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 148712.20
ACD/KOC (pH 7.4): 52639.07
Polar Surface Area: 65 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 508.5±7.0 cm3

Click to predict properties on the Chemicalize site






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