ChemSpider 2D Image | (S)-efonidipine | C34H38N3O7P

(S)-efonidipine

  • Molecular FormulaC34H38N3O7P
  • Average mass631.655 Da
  • Monoisotopic mass631.244751 Da
  • ChemSpider ID9939307

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-5-(5,5-Diméthyl-2-oxydo-1,3,2-dioxaphosphinan-2-yl)-2,6-diméthyl-4-(3-nitrophényl)-1,4-dihydro-3-pyridinecarboxylate de 2-[benzyl(phényl)amino]éthyle [French] [ACD/IUPAC Name]
(S)-efonidipine
128194-12-7 [RN]
2-[Benzyl(phenyl)amino]ethyl (4S)-5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
2-[Benzyl(phenyl)amino]ethyl-(4S)-5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester, (4S)- [ACD/Index Name]
(+)-(S)-efonidipine
(+)-efonidipine
(4S)-5-(2-keto-5,5-dimethyl-1,3-dioxa-2λ5-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-(benzyl-phenyl-amino)ethyl ester
(4S)-5-(5,5-dimethyl-2-oxo-1,3-dioxa-2λ5-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-(phenyl-(phenylmethyl)amino)ethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SU36WA6VVX [DBID]
UNII:SU36WA6VVX [DBID]
UNII-SU36WA6VVX [DBID]
  • Miscellaneous

    • Chemical Class:

      A 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate that has (S)-configuration. It is a blocker of L- an d T-type Ca(2+) channels. ChEBI CHEBI:146220

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

Density: 1.3±0.1 g/cm3
Boiling Point: 746.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.5±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 25541.40
ACD/KOC (pH 5.5): 49142.45
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26548.20
ACD/KOC (pH 7.4): 51079.56
Polar Surface Area: 133 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 483.1±5.0 cm3

Click to predict properties on the Chemicalize site


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