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| CAS No.: | 69372-19-6 |
|---|---|
| Name: | PEMIROLAST |
| Molecular Structure: | |
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| Formula: | C10H8N6O |
| Molecular Weight: | 228.213 |
| 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; |
| Density: | 1.64 g/cm3 |
| Melting Point: | 310-311° (dec) |
| Boiling Point: | 454.8 °C at 760 mmHg |
| Flash Point: | 228.9 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | R34 |
| PSA: | 88.83000 |
| LogP: | 0.18300 |
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- Total:33 Page 1 of 1 1
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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