Isradipine

The 3,5-Pyridinedicarboxylicacid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, 3-methyl5-(1-methylethyl) ester, with its CAS registry number 75695-93-1, has the IUPAC name of 3-O-methyl 5-O-propan-2-yl4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate. For being a kind of yellow solid, its product categories are including Intermediates & Fine Chemicals; Pharmaceuticals; Calcium channel; Ion Channels. As to its usage, it is usually applied as the CCB, with the function of depressurization, and being antianginal and antiarterial hardness. When comes to its production method, this chemical could be produced from the condensation of benzofuzazan-4-methanal, methyl 3-aminobutenoate and isopropyl acetylacetate.

The physical properties of this chemical are as below: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 312.59; (6)ACD/BCF (pH 7.4): 312.95; (7)ACD/KOC (pH 5.5): 2125.07; (8)ACD/KOC (pH 7.4): 2127.46; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 94.76; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 96.9 cm³; (15)Molar Volume: 297.1 cm³; (16)Polarizability: 38.41×10^-24 cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.249 g/cm³; (19)Flash Point: 257.4 °C; (20)Enthalpy of Vaporization: 77.09 kJ/mol; (21)Boiling Point: 501.9 °C at 760 mmHg; (22)Vapour Pressure: 3.32E-10 mmHg at 25°C; (23)Exact Mass: 371.148121; (24)MonoIsotopic Mass: 371.148121; (25)Topological Polar Surface Area: 104; (26)Heavy Atom Count: 27; (27)Complexity: 685.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC
(2)InChI: InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3
(3)InChIKey: HMJIYCCIJYRONP-UHFFFAOYSA-N