ChemSpider 2D Image | [8-(4-Chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]dec-2-yl]methyl methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C30H32ClN3O8

[8-(4-Chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]dec-2-yl]methyl methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC30H32ClN3O8
  • Average mass598.043 Da
  • Monoisotopic mass597.187805 Da
  • ChemSpider ID28527738
  • defined stereocentres - 1 of 2 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 [8-(4-chlorophényl)-1,4-dioxa-8-azaspiro[4.5]déc-2-yl]méthyle et de méthyle [French] [ACD/IUPAC Name]
[8-(4-Chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]dec-2-yl]methyl methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
[8-(4-Chlorphenyl)-1,4-dioxa-8-azaspiro[4.5]dec-2-yl]methyl-methyl-(4S)-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)-, [8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]dec-2-yl]methyl methyl ester, (4S)- [ACD/Index Name]
113759-50-5 [RN]
3-O-[[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decan-2-yl]methyl]5-O-methyl2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
cronidipine [INN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 750.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.9±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 153.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7218.28
ACD/KOC (pH 5.5): 19893.42
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7497.68
ACD/KOC (pH 7.4): 20663.44
Polar Surface Area: 132 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 427.1±5.0 cm3

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