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57495-14-4

Basic Information
CAS No.: 57495-14-4
Name: sodium 2-(3-benzoylphenyl)propionate
Molecular Structure:
Molecular Structure of 57495-14-4 (sodium 2-(3-benzoylphenyl)propionate)
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
Synthetic route
22071-15-4

ketoprofen

57495-14-4

m-benzoylhydratropic acid sodium salt

Conditions
ConditionsYield
With sodium hydroxide In water; acetonitrile pH=7 - 8;
157617-92-0

N,N-dimethyl-N-benzyl-N-(2-methacryloyloxyethyl)ammonium bromide

57495-14-4

m-benzoylhydratropic acid sodium salt

1345856-44-1

N,N-dimethyl-N-benzyl-N-(2-methacryloyloxyethyl)ammonium ketoprofenate

Conditions
ConditionsYield
In chloroform at 20℃; for 2h;100%
1192205-90-5

Br(1-)*C19H24NO2(1+)

57495-14-4

m-benzoylhydratropic acid sodium salt

1345856-50-9

C16H13O3(1-)*C19H24NO2(1+)

Conditions
ConditionsYield
In chloroform at 20℃; for 2h;99%
63148-26-5

N,N-dimethyl-N-(hexadecyl)-N-(2-methacryloyloxyethyl)ammonium iodide

57495-14-4

m-benzoylhydratropic acid sodium salt

N,N-dimethyl-N-(hexadecyl)-N-(2-methacryloyloxyethyl)ammonium ketoprofenate

Conditions
ConditionsYield
In chloroform at 20℃; for 2h;99%
57495-14-4

m-benzoylhydratropic acid sodium salt

pivaloyloxymethyl reagent

pivaloyloxymethyl reagent

ketoprofen pivaloyloxymethyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 60℃; for 24h; Esterification;96%
57495-14-4

m-benzoylhydratropic acid sodium salt

acetoxypropyl reagent

acetoxypropyl reagent

ketoprofen acetyloxypropyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 60℃; for 24h; Esterification;90%
1399258-35-5

tris(2-((4-tert-butylbenzyl)amino)ethyl)amine

34946-82-2

copper(II) bis(trifluoromethanesulfonate)

57495-14-4

m-benzoylhydratropic acid sodium salt

1399258-30-0

Cu(OOCCH(CH3)C6H4COC6H5)(N(CH2CH2NHCH2C6H4C(CH3)3)3)(1+)*OOCCHCH3C6H4COC6H5(1-)=Cu(O2C2CH3C13H10O)2(N(C2H4NHCH2C10H13)3)

Conditions
ConditionsYield
elem. anal.;90%
57495-14-4

m-benzoylhydratropic acid sodium salt

hydroxyethyl reagent

hydroxyethyl reagent

70125-82-5

2-(3-benzoylphenyl)propionic acid 2-hydroxyethyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 60℃; for 24h; Esterification;82%
57495-14-4

m-benzoylhydratropic acid sodium salt

acetoxybutyl reagent

acetoxybutyl reagent

ketoprofen acetyloxybutyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 60℃; for 24h; Esterification;82%
75-07-0

acetaldehyde

57495-14-4

m-benzoylhydratropic acid sodium salt

[3-(2-hydroxy-1-methyl-propyl)-phenyl]-phenyl-methanone

Conditions
ConditionsYield
With zeolite NaY In various solvent(s) UV-irradiation;82%
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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 .