ChemSpider 2D Image | NIFEDIPINE-D6 | C17H12D6N2O6

NIFEDIPINE-D6

  • Molecular FormulaC17H12D6N2O6
  • Average mass352.372 Da
  • Monoisotopic mass352.154144 Da
  • ChemSpider ID23936823

  • Non-standard isotope - Non-standard isotope

More details:

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

1188266-14-9 [RN]
2,6-Diméthyl-4-(2-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de bis[(2H3)méthyle] [French] [ACD/IUPAC Name]
3,5-Di(methyl-d3) 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl-d3 ester [ACD/Index Name]
Bis[(2H3)methyl] 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Bis[(2H3)methyl]-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
NIFEDIPINE-D6
[1188266-14-9] [RN]
1,?4-?dihydro-?2,?6-?dimethyl-?4-?(2-?nitrophenyl)?-?3,?5-?Pyridinedicarboxylic acid, 3,?5-?di(methyl-?d3) ester
1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid 3,5-di(methyl-d3) ester
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Calcium Channel MedChem Express HY-B0284S
      Membrane Tranporter/Ion Channel MedChem Express HY-B0284S
      Membrane Tranporter/Ion Channel; MedChem Express HY-B0284S
      Nifedipine D6 is deuterium labeled Nifedipine, which is a potent vasodilator agent with calcium antagonistic action. MedChem Express HY-B0284S

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

Density: 1.3±0.0 g/cm3
Boiling Point: 475.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 73.9±0.0 kJ/mol
Flash Point: 241.2±0.0 °C
Index of Refraction: 1.559
Molar Refractivity: 87.9±0.0 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.51
ACD/KOC (pH 5.5): 976.54
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 105.67
ACD/KOC (pH 7.4): 978.02
Polar Surface Area: 110 Å2
Polarizability: 34.8±0.0 10-24cm3
Surface Tension: 46.1±0.0 dyne/cm
Molar Volume: 272.3±0.0 cm3

Click to predict properties on the Chemicalize site


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