ChemSpider 2D Image | 2-Carboxybenzoyl amlodipine | C28H29ClN2O8

2-Carboxybenzoyl amlodipine

  • Molecular FormulaC28H29ClN2O8
  • Average mass556.992 Da
  • Monoisotopic mass556.161255 Da
  • ChemSpider ID8113238

More details:

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

2-[(2-{[4-(2-Chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydro-2-pyridinyl]methoxy}ethyl)carbamoyl]benzoic acid [ACD/IUPAC Name]
2-[(2-{[4-(2-Chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydropyridin-2-yl]methoxy}ethyl)carbamoyl]benzoic acid
2-[(2-{[4-(2-Chlorphenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydro-2-pyridinyl]methoxy}ethyl)carbamoyl]benzoesäure [German] [ACD/IUPAC Name]
2-Carboxybenzoyl amlodipine
3,5-Pyridinedicarboxylic acid, 2-[[2-[(2-carboxybenzoyl)amino]ethoxy]methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester [ACD/Index Name]
318465-73-5 [RN]
3-Ethyl 5-methyl 2-[[2-[(2-carboxybenzoyl)amino]ethoxy]methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate
Acide 2-[(2-{[4-(2-chlorophényl)-3-(éthoxycarbonyl)-5-(méthoxycarbonyl)-6-méthyl-1,4-dihydro-2-pyridinyl]méthoxy}éthyl)carbamoyl]benzoïque [French] [ACD/IUPAC Name]
1-(2'-Chloro-1,2,3,4-tetrahydro-[2,3'-biquinolin]-4-yl)pyrrolidin-2-one
2-((2-((4-(2-Chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydropyridin-2-yl)methoxy)ethyl)carbamoyl)benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

K05668IG9G [DBID]
UNII:K05668IG9G [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: 727.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.5±3.0 kJ/mol
    Flash Point: 393.9±32.9 °C
    Index of Refraction: 1.580
    Molar Refractivity: 142.0±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 4.81
    ACD/LogD (pH 5.5): 2.72
    ACD/BCF (pH 5.5): 21.43
    ACD/KOC (pH 5.5): 79.20
    ACD/LogD (pH 7.4): 1.72
    ACD/BCF (pH 7.4): 2.14
    ACD/KOC (pH 7.4): 7.91
    Polar Surface Area: 140 Å2
    Polarizability: 56.3±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 426.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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