3,5-Pyridinedicarboxylicacid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl5-(1-methylethyl) ester

The Nilvadipine, with the CAS registry number 75530-68-6, is also known as 5-Isopropyl 3-methyl 2-cyano-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate. It belongs to the product categories of Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₉H₁₉N₃O₆ and molecular weight is 385.37. Its IUPAC name is called 3-O-methyl 5-O-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Physical properties of Nilvadipine: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 1.72; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 12.03; (5)ACD/BCF (pH 7.4): 12.03; (6)ACD/KOC (pH 5.5): 206.47; (7)ACD/KOC (pH 7.4): 206.47; (8)#H bond acceptors: 9; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 97.1 cm³; (13)Molar Volume: 290 cm³; (14)Surface Tension: 57 dyne/cm; (15)Density: 1.32 g/cm³; (16)Flash Point: 272.3 °C; (17)Enthalpy of Vaporization: 80.11 kJ/mol; (18)Boiling Point: 526.7 °C at 760 mmHg; (19)Vapour Pressure: 3.5E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-nitrobenzaldehyde, piperidine, 4,4 - dimethoxy methyl acetoacetate and acetic acid. This reaction will need 2-amino-2-crotonic acid isopropyl.

Uses of Nilvadipine: it is a calcium channel blocker (CCB) for the treatment of hypertension and chronic major cerebral artery occlusion. It can be used as an antihypertensive and antianginal. it can be used as calcium antagonists of dihydropyridine. Besides, it also can be used for essential hypertension. This chemical's classification codes are Antagonist [calcium channel]; Antihypertensive agents; Calcium channel blockers; Cardiovascular Agents; Drug / Therapeutic Agent; Membrane Transport Modulators; Reproductive Effect.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)C)\C1=C(\NC(/C#N)=C(/C(=O)OC)C1c2cccc([N+]([O-])=O)c2)C
(2)InChI: InChI=1/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
(3)InChIKey: FAIIFDPAEUKBEP-UHFFFAOYAX

The toxicity data is as follows: