Efonidipine, (+)-

Base Information

• Chemical Name: Efonidipine, (+)-
• CAS No.: 128194-12-7
• Molecular Formula: C34H38N3O7P
• UNII: SU36WA6VVX
• DSSTox Substance ID: DTXSID50155837
• Wikidata: Q27289398
• Mol file: 128194-12-7.mol

Synonyms:Efonidipine, (+)-;(S)-(+)-Efonidipine;UNII-SU36WA6VVX;Efonidipine (S)-form [MI];128194-12-7;SU36WA6VVX;(S)-efonidipine;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)-;(+)-efonidipine;S(+)-Efonidipine;(+)-(S)-efonidipine;EFONIDIPINE, (S)-;SCHEMBL49638;DTXSID50155837;CHEBI:146220;PD132765;Q27289398;2-(N-benzylanilino)ethyl (4S)-5-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;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-dihydropyridine-3-carboxylate

Chemical Property of Efonidipine, (+)-

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 631.24473756
• Heavy Atom Count: 45
• Complexity: 1170

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
• Isomeric SMILES: CC1=C([C@@H](C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5