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CAS No.: | 57495-14-4 |
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Name: | sodium 2-(3-benzoylphenyl)propionate |
Molecular Structure: | |
Formula: | C16H14 O3 . Na |
Molecular Weight: | 276.267 |
Synonyms: | Benzeneaceticacid, 3-benzoyl-a-methyl-,sodium salt (9CI); 2-(3-Benzoylphenyl)propionic acid sodium salt; Diractin;Ketoprofen sodium; Sodium ketoprofen |
Density: | g/cm3 |
Melting Point: | 184 °C |
Boiling Point: | 431.3°Cat760mmHg |
Flash Point: | 228.8°C |
Safety: | Poison by ingestion, subcutaneous, intramuscular, intravenous, and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of Na2O. |
PSA: | 57.20000 |
LogP: | 1.77100 |
ketoprofen
m-benzoylhydratropic acid sodium salt
Conditions | Yield |
---|---|
With sodium hydroxide In water; acetonitrile pH=7 - 8; |
N,N-dimethyl-N-benzyl-N-(2-methacryloyloxyethyl)ammonium bromide
m-benzoylhydratropic acid sodium salt
N,N-dimethyl-N-benzyl-N-(2-methacryloyloxyethyl)ammonium ketoprofenate
Conditions | Yield |
---|---|
In chloroform at 20℃; for 2h; | 100% |
Br(1-)*C19H24NO2(1+)
m-benzoylhydratropic acid sodium salt
C16H13O3(1-)*C19H24NO2(1+)
Conditions | Yield |
---|---|
In chloroform at 20℃; for 2h; | 99% |
N,N-dimethyl-N-(hexadecyl)-N-(2-methacryloyloxyethyl)ammonium iodide
m-benzoylhydratropic acid sodium salt
Conditions | Yield |
---|---|
In chloroform at 20℃; for 2h; | 99% |
m-benzoylhydratropic acid sodium salt
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 60℃; for 24h; Esterification; | 96% |
m-benzoylhydratropic acid sodium salt
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 60℃; for 24h; Esterification; | 90% |
tris(2-((4-tert-butylbenzyl)amino)ethyl)amine
copper(II) bis(trifluoromethanesulfonate)
m-benzoylhydratropic acid sodium salt
Cu(OOCCH(CH3)C6H4COC6H5)(N(CH2CH2NHCH2C6H4C(CH3)3)3)(1+)*OOCCHCH3C6H4COC6H5(1-)=Cu(O2C2CH3C13H10O)2(N(C2H4NHCH2C10H13)3)
Conditions | Yield |
---|---|
elem. anal.; | 90% |
m-benzoylhydratropic acid sodium salt
2-(3-benzoylphenyl)propionic acid 2-hydroxyethyl ester
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 60℃; for 24h; Esterification; | 82% |
m-benzoylhydratropic acid sodium salt
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 60℃; for 24h; Esterification; | 82% |
acetaldehyde
m-benzoylhydratropic acid sodium salt
Conditions | Yield |
---|---|
With zeolite NaY In various solvent(s) UV-irradiation; | 82% |
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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℃
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. |
Poison by ingestion, subcutaneous, intramuscular, intravenous, and intraperitoneal routes. It's an experimental teratogen.
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 .