PEMIROLAST

The CAS register number of Pemirolast is 69372-19-6. It also can be called as 4H-Pyrido(1,2-a)pyrimidin-4-one, 9-methyl-3-(1H-tetrazol-5-yl)- and the IUPAC name about this chemical is 9-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one. The molecular formula about this chemical is C₁₀H₈N₆O and the molecular weight is 228.21. Classification code about this chemical are Histamine Agents, Histamine antagonists and Neurotransmitter Agents. This chemical is an anti-allergic drug. It has also been studied for the treatment of asthma.

Physical properties about Pemirolast are: (1)ACD/LogP: -0.02; (2)ACD/LogD (pH 5.5): -1.44; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 76.27Ų; (12)Index of Refraction: 1.828; (13)Molar Refractivity: 60.87 cm³; (14)Molar Volume: 138.8 cm³; (15)Polarizability: 24.13x10^-24cm³; (16)Surface Tension: 73.9 dyne/cm; (17)Enthalpy of Vaporization: 71.45 kJ/mol; (18)Boiling Point: 454.8 °C at 760 mmHg; (19)Vapour Pressure: 1.85E-08 mmHg at 25°C.

2-Amino-3-methylpyridine can react with sodium azide, aluminum chloride and 3-ethoxy-2-Ethyl in tetrahydrofuran to produce Pemirolast.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1N\3\C(=N/C=C/1c2nnnn2)\C(=C/C=C/3)C
(2)InChI: InChI=1/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)
(3)InChIKey: HIANJWSAHKJQTH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)
(5)Std. InChIKey: HIANJWSAHKJQTH-UHFFFAOYSA-N