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CHEBI:146220 - (S)-efonidipine
| Formula | C34H38N3O7P |
| Net Charge | 0 |
| Average Mass | 631.666 |
| Monoisotopic Mass | 631.24474 |
| SMILES | [H][C@]1(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)=C(C)NC(C)=C1P1(=O)OCC(C)(C)CO1 |
| InChI | InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3/t31-/m0/s1 |
| InChIKey | NSVFSAJIGAJDMR-HKBQPEDESA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | calcium channel blocker One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-efonidipine (CHEBI:146220) has role calcium channel blocker (CHEBI:38215) |
| (S)-efonidipine (CHEBI:146220) is 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 (CHEBI:146221) |
| (S)-efonidipine (CHEBI:146220) is enantiomer of (R)-efonidipine (CHEBI:146219) |
| Incoming Relation(s) |
| efonidipine (CHEBI:135859) has part (S)-efonidipine (CHEBI:146220) |
| (R)-efonidipine (CHEBI:146219) is enantiomer of (S)-efonidipine (CHEBI:146220) |
| 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-dihydropyridine-3-carboxylate |
| Synonyms | Source |
|---|---|
| (+)-efonidipine | ChemIDplus |
| (S)-(+)-efonidipine | ChemIDplus |
| (+)-(S)-efonidipine | ChEBI |
| S(+)-efonidipine | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:128194-12-7 | ChemIDplus |
| Citations |
|---|