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| CAS No.: | 16449-54-0 |
|---|---|
| Name: | aluminum flufenamate |
| Molecular Structure: | |
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| Formula: | C42H27 Al F9 N3 O6 |
| Molecular Weight: | 867.70 |
| Synonyms: | Aluminum,tris[2-[[3-(trifluoromethyl)phenyl]amino]benzoato-N,O]-; Aluminum, tris[N-(a,a,a-trifluoro-m-tolyl)anthranilato]- (7CI,8CI); Benzoic acid,2-[[3-(trifluoromethyl)phenyl]amino]-, aluminum complex; Alfenamin;Alufenamine; Aluminum flufenamate; Flufenamic acid aluminum salt; Opyrin; TS1801 |
| Density: | g/cm3 |
| Boiling Point: | 373.9°Cat760mmHg |
| Flash Point: | 179.9°C |
| Safety: | Moderately toxic by ingestion and other routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of F− and NOx. See also ALUMINUM COMPOUNDS. |
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Chemistry
Molecular Structure of Aluminum flufenamate (CAS NO.16449-54-0):
IUPAC: Aluminum tris(2-{[3-(trifluoromethyl)phenyl]amino}benzoate)
Molecular Formula:C42H27AlF9N3O6
Molecular Weight:867.6474
EINECS:240-498-9
Boiling point:373.9oC at 760 mmHg
Flash point:179.9oC
Enthalpy of Vaporization:65.54 kJ/mol
Vapour Pressure:2.97E-06 mmHg at 25oC
SMILES:[Al+3].FC(F)(F)c1cc(ccc1)Nc2ccccc2C([O-])=O.FC(F)(F)c1cc(ccc1)Nc2ccccc2C([O-])=O.FC(F)(F)c1cc(ccc1)Nc2ccccc2C([O-])=O
InChI:InChI=1/3C14H10F3NO2.Al/c3*15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20;/h3*1-8,18H,(H,19,20);/q;;;+3/p-3
InChIKey:OSQHGAXCVAYZPZ-DFZHHIFOAP
Toxicity Data With Reference
| 1. | orl-rat LD50:550 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),153. | ||
| 2. | ipr-rat LD50:420 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 4 (1935),1289. | ||
| 3. | scu-rat LD50:725 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),704. | ||
| 4. | orl-mus LD50:1460 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),704. | ||
| 5. | ipr-mus LD50:1560 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),704. |
Safety Profile
Moderately toxic by ingestion and other routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of F− and NOx. See also ALUMINUM COMPOUNDS.
Specification
Aluminum flufenamate with cas registry number of 16449-54-0 is also known as Alfenamin ; Alufenamine ; Aluminium flufenamate ; Aluminum, tris(2-((3-(trifluoromethyl)phenyl)amino)benzoato-N,O)- ; Flufenamic acid, aluminium salt ; Opyrin ; Tris(N-(alpha,alpha,alpha-trifluoro-m-tolyl)anthranilato)aluminum ; Aluminum N-(3'-trifluoromethylpheny)anthranilate ; Aluminum, tris(N-(alpha,alpha,alpha-trifluoro-m-tolyl)anthranilato)- ; Tris(2-((3-(trifluoromethyl)phenyl)amino)benzoato-N,O)aluminium .This compound should be stored in a cool, dry place. Aluminum flufenamate with cas registry number of 16449-54-0 is an anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic propertiesuse . It is used as a therapeutic agent in musculoskeletal and joint disorders.