ChemSpider 2D Image | Amlodipine Metabolite | C20H20ClNO7

Amlodipine Metabolite

  • Molecular FormulaC20H20ClNO7
  • Average mass421.828 Da
  • Monoisotopic mass421.092834 Da
  • ChemSpider ID32698294

More details:

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

{[4-(2-Chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-2-pyridinyl]methoxy}acetic acid [ACD/IUPAC Name]
{[4-(2-Chlorphenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-2-pyridinyl]methoxy}essigsäure [German] [ACD/IUPAC Name]
113994-45-9 [RN]
2-((4-(2-CHLOROPHENYL)-3-ETHOXYCARBONYL-5-METHOXYCARBONYL-6-METHYL-2-PYRIDYL)METHOXY)ACETIC ACID
3,5-Pyridinedicarboxylic acid, 2-[(carboxymethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-, 3-ethyl 5-methyl ester [ACD/Index Name]
Acide {[4-(2-chlorophényl)-3-(éthoxycarbonyl)-5-(méthoxycarbonyl)-6-méthyl-2-pyridinyl]méthoxy}acétique [French] [ACD/IUPAC Name]
Amlodipine Metabolite
2-((4-(2-chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methylpyridin-2-yl)methoxy)acetic acid
2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methylpyridin-2-yl]methoxy]acetic acid
3,5-PYRIDINEDICARBOXYLIC ACID,2-[(CARBOXYMETHOXY)METHYL]-4-(2-CHLOROPHENYL)-6-METHYL-, 3-ETHYL5-METHYL ESTER
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7DYI36G762 [DBID]
UNII:7DYI36G762 [DBID]
UNII-7DYI36G762 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 571.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.2±3.0 kJ/mol
    Flash Point: 299.6±30.1 °C
    Index of Refraction: 1.568
    Molar Refractivity: 104.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.15
    ACD/LogD (pH 5.5): 0.58
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.78
    ACD/LogD (pH 7.4): -0.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 41.4±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 318.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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