Basic information
- Name:
Benzeneacetic acid,3-benzoyl-a-methyl-, sodium salt (1:1)
- CAS No.:
57495-14-4
- Molecular Structure:
- Formula:
- C16H14 O3 . Na
- Molecular Weight:
- 277.28
- Synonyms:
- Benzeneaceticacid, 3-benzoyl-a-methyl-,sodium salt (9CI); 2-(3-Benzoylphenyl)propionic acid sodium salt; Diractin;Ketoprofen sodium; Sodium ketoprofen
- Density:
- g/cm3
- Boiling Point:
- 431.3°Cat760mmHg
- Flash Point:
- 228.8°C
- Safety Description:
- Poison by ingestion, subcutaneous, intramuscular, intravenous, and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of Na2O. Details
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Chemistry
IUPAC Name: Sodium 2-(3-benzoylphenyl)propanoate
CAS: 57495-14-4
EINECS: 260-770-0
Following is the Molecular Structure of Ketoprofen sodium (57495-14-4):
SMILES: [Na+].[O-]C(=O)C(c2cc(C(=O)c1ccccc1)ccc2)C
InChI: InChI=1/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);/q;+1/p-1
InChIKey: OAPDLBHLMVYMCW-REWHXWOFAE
Std.InChI: InChI=1S/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);/q;+1/p-1
Std.InChIKey: OAPDLBHLMVYMCW-UHFFFAOYSA-M
Molecular Formula: C16H13NaO3
Molecular Weight: 276.26239
Boiling Point: 431.3℃ at 760mmHg
Flash Point: 228.8℃
Enthalpy of Vaporization: 72.41kJ/mol
Vapour Pressure: 3.32E-08mmHg at 25℃
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intramuscular | 400mg/kg (400mg/kg) | Pharmaceutical Sciences. Vol. 3, Pg. 203, 1997. | |
| mouse | LD50 | intraperitoneal | 520mg/kg (520mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 709, 1977. |
| mouse | LD50 | intravenous | 738mg/kg (738mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 709, 1977. |
| mouse | LD50 | oral | 735mg/kg (735mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 709, 1977. |
| mouse | LD50 | subcutaneous | 820mg/kg (820mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 709, 1977. |
| rat | LD50 | intramuscular | 125mg/kg (125mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 709, 1977. |
| rat | LD50 | intraperitoneal | 66mg/kg (66mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 709, 1977. |
| rat | LD50 | intravenous | 343mg/kg (343mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 709, 1977. |
| rat | LD50 | oral | 215mg/kg (215mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 709, 1977. |
| rat | LD50 | subcutaneous | 154mg/kg (154mg/kg) | Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 1, Pg. 101, 1975. |
Safety Profile
Poison by ingestion, subcutaneous, intramuscular, intravenous, and intraperitoneal routes. It's an experimental teratogen.
Specification
Ketoprofen sodium (57495-14-4),which also can be called for Sodium 2-(3-benzoylphenyl)propionate ; 19583-RP Sodium ; 19583-RP-Na ; 3-Benzoyl-α-methylbenzeneacetic acid sodium salt ; Ketoprofen sodium ; Sodium ketoprofen .When Ketoprofen sodium (57495-14-4) was heated, it emits toxic fumes of Na2O .