ChemSpider 2D Image | Nimodipine-d7 | C21H19D7N2O7

Nimodipine-d7

  • Molecular FormulaC21H19D7N2O7
  • Average mass425.483 Da
  • Monoisotopic mass425.217926 Da
  • ChemSpider ID29787596

  • Non-standard isotope - Non-standard isotope

More details:

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

1246815-36-0 [RN]
2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de 2-méthoxyéthyle et de (2H7)-2-propanyle [French] [ACD/IUPAC Name]
2-Methoxyethyl (2H7)-2-propanyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
2-Methoxyethyl-(2H7)-2-propanyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-(methyl-d3)ethyl-1,2,2,2-d4 ester [ACD/Index Name]
Nimodipine-d7
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-(2-Methoxyethyl) 5-(1-Methylethyl-d7) Ester
5-O-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl) 3-O-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 534.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.1±3.0 kJ/mol
    Flash Point: 277.3±30.1 °C
    Index of Refraction: 1.539
    Molar Refractivity: 108.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.86
    ACD/LogD (pH 5.5): 4.13
    ACD/BCF (pH 5.5): 803.21
    ACD/KOC (pH 5.5): 4174.94
    ACD/LogD (pH 7.4): 4.13
    ACD/BCF (pH 7.4): 804.66
    ACD/KOC (pH 7.4): 4182.51
    Polar Surface Area: 120 Å2
    Polarizability: 42.9±0.5 10-24cm3
    Surface Tension: 43.9±3.0 dyne/cm
    Molar Volume: 345.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement