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| CAS No.: | 189954-96-9 |
|---|---|
| Name: | Firocoxib |
| Article Data: | 14 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C17H20 O5 S |
| Molecular Weight: | 336.409 |
| Synonyms: | Equioxx;Equixx;Librens;ML 1785713;Previcox;2(5H)-Furanone,3-(cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-; |
| EINECS: | 200-001-2 |
| Density: | 1.31 |
| Melting Point: | 78-80°C |
| Boiling Point: | 563.9°Cat760mmHg |
| Flash Point: | 294.8°C |
| Solubility: | N/A |
| Appearance: | N/A |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 78.05000 |
| LogP: | 3.64400 |
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1. Introduction of Firocoxib
Firocoxib, with the IUPAC Name of 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one, belongs to the Classification Code which include Anti-inflammatory Agents; Cycloxygenase-2 (COX-2) Inhibitors; Treatment of pain, inflammation and fever. Firocoxib is used as non-steroidal anti-inflammatory drug.
2. Properties of Firocoxib
Firocoxib has the following datas: (1)Density: 1.31; (2)Boiling Point: 563.9°C at 760mmHg; (3)Flash Point: 294.8°C; (4)Freely Rotating Bonds: 5; (5)Polar Surface Area: 78.05; (6)Index of Refraction: 1.584; (7)Molar Refractivity: 85.45 cm3; (8)Molar Volume: 255.1 cm3; (9)Polarizability: 33.87 ×10-24 cm3; (10)Surface Tension: 51.4 dyne/cm; (11)Enthalpy of Vaporization: 84.73 kJ/mol; (12)Vapour Pressure: 9.72E-13 mmHg at 25°C.
3. Structure Descriptors of Firocoxib
You could convert the following datas into the molecular structure:
(1). Canonical SMILES: CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C
