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Pemirolast

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Name

Pemirolast

EINECS N/A
CAS No. 69372-19-6 Density 1.64 g/cm3
PSA 88.83000 LogP 0.18300
Solubility N/A Melting Point 310-311° (dec)
Formula C10H8N6O Boiling Point 454.8 °C at 760 mmHg
Molecular Weight 228.213 Flash Point 228.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R34
Molecular Structure Molecular Structure of 69372-19-6 (PEMIROLAST) Hazard Symbols C
Synonyms

4H-Pyrido[1,2-a]pyrimidin-4-one,9-methyl-3-(1H-tetrazol-5-yl)- (9CI);9-Methyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one;Pemirolast;

Article Data 5

Pemirolast Specification

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: 76.27Å2; (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

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