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Lercanidipine

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Name

Lercanidipine

EINECS 807-432-6
CAS No. 100427-26-7 Density 1.177 g/cm3
PSA 113.69000 LogP 7.33040
Solubility N/A 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 N/A Appearance white powder
Safety Risk Codes T
Molecular Structure Molecular Structure of 100427-26-7 (Lercanidipine) Hazard Symbols N/A
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;

Article Data 6

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

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