ChemSpider 2D Image | (S)-lercanidipine | C36H41N3O6

(S)-lercanidipine

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID8050004

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de 1-[(3,3-diphénylpropyl)(méthyl)amino]-2-méthyl-2-propanyle et de méthyle [French] [ACD/IUPAC Name]
(S)-lercanidipine
1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanyl methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanyl-methyl-(4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
185197-71-1 [RN]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl methyl ester, (4S)- [ACD/Index Name]
(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[2-[3,3-di(phenyl)propyl-methylamino]-1,1-dimethylethyl] O5-methyl ester
(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[2-[3,3-di(phenyl)propyl-methyl-amino]-1,1-dimethyl-ethyl] O5-methyl ester
100427-26-7 [RN]
Lercanidipine [INN] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

J8GF8BXI8S [DBID]
UNII:J8GF8BXI8S [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 172.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 241.29
ACD/KOC (pH 5.5): 275.93
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 8435.49
ACD/KOC (pH 7.4): 9646.34
Polar Surface Area: 114 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 519.7±3.0 cm3

Click to predict properties on the Chemicalize site


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