Lercanidipine supplier | CasNO.100427-26-7

Name
Lercanidipine
EINECS 807-432-6
CAS No. 100427-26-7
Article Data6
CAS DataBase
Density 1.177 g/cm³
Solubility
Melting Point 118-120 °C
Formula C₃₆H₄₁N₃O₆
Boiling Point 712.5 °C at 760 mmHg
Molecular Weight 611.738
Flash Point 384.7 °C
Transport Information
Appearance white powder
Safety
Risk Codes T
Molecular Structure
Hazard Symbols
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;
PSA 113.69000
LogP 7.33040

Lercanidipine 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

Product Name

Lercanidipine

Lercanidipine Specification

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