ChemSpider 2D Image | S(+)-niguldipine | C36H39N3O6

S(+)-niguldipine

  • Molecular FormulaC36H39N3O6
  • Average mass609.711 Da
  • Monoisotopic mass609.283875 Da
  • ChemSpider ID54630

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-(S)-3-(4,4-Diphenylpiperidino)propyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
(4S)-2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de 3-(4,4-diphényl-1-pipéridinyl)propyle et de méthyle [French] [ACD/IUPAC Name]
113165-32-5 [RN]
3-(4,4-Diphenyl-1-piperidinyl)propyl methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
3-(4,4-Diphenyl-1-piperidinyl)propyl-methyl-(4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
3-(4,4-Diphenylpiperidin-1-yl)propyl methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(4,4-diphenyl-1-piperidinyl)propyl methyl ester, (4S)- [ACD/Index Name]
Niguldipine [INN]
S(+)-niguldipine
(+)-niguldipine
More...

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

6106 [DBID]
Z81N45O25Z [DBID]
NCGC00025014-01 [DBID]
NCGC00025015-01 [DBID]
Tocris-1123 [DBID]
Tocris-1124 [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: 729.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.0±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 170.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 96.18
ACD/KOC (pH 5.5): 153.74
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 4122.94
ACD/KOC (pH 7.4): 6590.49
Polar Surface Area: 114 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 505.6±3.0 cm3

Click to predict properties on the Chemicalize site


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