13280-16-5 Purity
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Specification
The molecular formula is C36H42ClN3O6.
The molecular weight is 648.2 g/mol.
Synonyms include lercanidipine HCl and Cardiovasc Corifeo.
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;hydrochloride.
The InChI Key is WMFYOYKPJLRMJI-UHFFFAOYSA-N.
The Canonical SMILES is 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.Cl.
The CAS number is 132866-11-6.
There are 2 hydrogen bond donor counts.
The rotatable bond count is 13.
The topological polar surface area is 114 Ų.