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111011-63-3

111011-63-3 Structure

111011-63-3 Structure
IdentificationBack Directory
[Name]

EFONIDIPINE
[CAS]

111011-63-3
[Synonyms]

EFONIDIPINE
Efonidipine(NZ-105)
EFONIDIPINE FREE BASE
2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
5,5-Dimethyl-2-[[1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-[[2-[phenyl(phenylmethyl)amino]ethoxy]carbonyl]pyridin]-3-yl]-1,3,2-dioxaphosphorinane 2-oxide
5-(5,5-Dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-[phenyl(phenylmethyl)amino]ethyl ester
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
[Molecular Formula]

C34H38N3O7P
[MDL Number]

MFCD00865899
[MOL File]

111011-63-3.mol
[Molecular Weight]

631.66
Chemical PropertiesBack Directory
[Melting point ]

169-170℃
[Boiling point ]

746.9±60.0 °C(Predicted)
[density ]

1.30±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF:30.0(Max Conc. mg/mL);47.49(Max Conc. mM)
Ethanol:40.0(Max Conc. mg/mL);63.32(Max Conc. mM)
[form ]

A crystalline solid
[pka]

4.03±0.50(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H315-H317-H319-H335-H360
[Precautionary statements ]

P201-P261-P280-P305+P351+P338-P308+P313
Hazard InformationBack Directory
[Definition]

ChEBI: 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 is a carboxylic ester resulting from the formal condensation of the carboxy group of 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid with the hydroxy group of 2-[benzyl(phenyl)amino]ethanol. It is a C-nitro compound, a carboxylic ester, a tertiary amino compound and a dihydropyridine.
Spectrum DetailBack Directory
[Spectrum Detail]

EFONIDIPINE(111011-63-3)1HNMR
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