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| CAS No.: | 100427-26-7 |
|---|---|
| Name: | Lercanidipine |
| Molecular Structure: | |
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| Formula: | C36H41N3O6 |
| Molecular Weight: | 611.738 |
| Synonyms: | (+-)-2-((3,3-Diphenylpropyl)methylamino)-1,1-dimethylethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(3,3-diphenylpropyl)methylamino)-1,1-dimethylethyl methyl ester;UNII-V7XTJ4R0BH;Masnidipine;AC1L244Q;3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester; |
| EINECS: | 807-432-6 |
| Density: | 1.177 g/cm3 |
| Melting Point: | 118-120 °C |
| Boiling Point: | 712.5 °C at 760 mmHg |
| Flash Point: | 384.7 °C |
| Appearance: | white powder |
| Risk Codes: | T |
| PSA: | 113.69000 |
| LogP: | 7.33040 |
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Specification
The Lercanidipine with CAS registry number of 100427-26-7 is also known as 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(3,3-diphenylpropyl)methylamino)-1,1-dimethylethyl methyl ester. The IUPAC name is 5-o-[1-[3,3-Diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-o-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. In addition, the formula is C36H41N3O6 and the molecular weight is 611.73.
Physical properties about Lercanidipine are: (1)ACD/LogP: 8.04; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 6.75; (5)ACD/BCF (pH 5.5): 1105.57; (6)ACD/BCF (pH 7.4): 38650.1; (7)ACD/KOC (pH 5.5): 820.28; (8)ACD/KOC (pH 7.4): 28676.66; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 172.91 cm3; (14)Molar Volume: 519.6 cm3; (15)Surface Tension: 46.6 dyne/cm; (16)Density: 1.177 g/cm3; (17)Flash Point: 384.7 °C; (18)Enthalpy of Vaporization: 104.17 kJ/mol; (19)Boiling Point: 712.5 °C at 760 mmHg; (20)Vapour Pressure: 3.77E-20 mmHg at 25 °C.
Uses of Lercanidipine: it is a calcium channel blocker of the dihydropyridine class, which works by relaxing and opening the blood vessels allowing the blood to circulate more freely around the body. It allows the heart to work more efficiently by lowering the blood pressure.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
2. InChI: InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3
3. InChIKey: ZDXUKAKRHYTAKV-UHFFFAOYSA-N