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| CAS No.: | 22071-15-4 |
|---|---|
| Name: | Ketoprofen |
| Article Data: | 84 |
| Molecular Structure: | |
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|
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| Formula: | C16H14O3 |
| Molecular Weight: | 254.285 |
| Synonyms: | 3-Benzoyl-alpha-methylbenzeneacetic acid;Epatec;Oruvail;Orudis;Ketoprofen (JP14/USP);2-(3-Benzoylphenyl)propionic acid;3-Benzoylhydratropic acid;Profenid;Benzeneacetic acid,3-benzoyl-R-methyl-;LAcide (benzoyl-3-phenyl)-2-propionique;Alrheumate;m-Benzoylhydratropic acid;ISO-K;Orudis (TN); |
| EINECS: | 244-759-8 |
| Density: | 1.198 g/cm3 |
| Melting Point: | 69-71 °C |
| Boiling Point: | 431.3 °C at 760 mmHg |
| Flash Point: | 147 °C |
| Solubility: | 209mg/L(room temperature) |
| Appearance: | white crystalline solid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25-36/37/38-23/24/25 |
| Safety: | 26-45-36/37/39 |
| PSA: | 54.37000 |
| LogP: | 3.10570 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 197314-10-6
2-(3-benzoyl-phenyl)-thiopropionic acid S-methyl ester
- 22071-15-4
ketoprofen
| Conditions | Yield |
|---|---|
| With potassium hydroxide In acetone for 2h; Heating; | 100% |
- 362470-63-1
(S)-2-(3-Benzoyl-phenyl)-propionic acid (S)-1-carbamoylmethyl-4,4-dimethyl-2-oxo-pyrrolidin-3-yl ester
- 22071-15-4
ketoprofen
| Conditions | Yield |
|---|---|
| With potassium trimethylsilonate In tetrahydrofuran at 20℃; for 12h; | 99% |
| Conditions | Yield |
|---|---|
| With palladium diacetate; catacxium A In 1,4-dioxane at 100℃; for 20h; | 99% |
| With palladium diacetate; catacxium A In 1,4-dioxane at 100℃; for 20h; | 99% |
| With hydrogenchloride; water; palladium diacetate; catacxium A In 1,4-dioxane at 100℃; under 30003 Torr; for 20h; regioselective reaction; | 99 %Chromat. |
- 79868-87-4
3-(3-benzoylphenyl)butan-2-one
- 22071-15-4
ketoprofen
| Conditions | Yield |
|---|---|
| With sodium hypochlorite at 70℃; for 0.25h; | 95% |
| With sodium hypochlorite Yield given; |
- 80078-36-0
dimethyl 2-methyl-2-(3'-benzoyl)phenylpropanedioate
- 22071-15-4
ketoprofen
| Conditions | Yield |
|---|---|
| With potassium hydroxide In tetrahydrofuran at 25℃; for 24h; | 95% |
- 42872-30-0
alpha-(m-benzoylphenyl)propionitrile
- 22071-15-4
ketoprofen
| Conditions | Yield |
|---|---|
| With sulfuric acid for 7h; Reflux; | 92.8% |
| With sulfuric acid In water; toluene | |
| With sodium hydroxide; sulfuric acid In water; toluene | |
| With sulfuric acid In water; toluene | |
| With sulfuric acid for 7h; Reflux; |
- 1235479-25-0
C18H20O3
- 22071-15-4
ketoprofen
| Conditions | Yield |
|---|---|
| Stage #1: C18H20O3 With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium bromide In acetonitrile at 5℃; for 2h; pH=9 - 10; Stage #2: With hydrogenchloride In ethanol; water at 70℃; for 1h; | 91% |
- 22071-15-4
ketoprofen
| Conditions | Yield |
|---|---|
| With nitric acid In 1,4-dioxane at 20℃; for 10h; | 90% |
| With nitric acid In 1,4-dioxane at 20℃; for 10h; | 65.6% |
| With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hypochlorite; sodium chlorite In water; acetonitrile at 35℃; for 24h; aq. phosphate buffer; | 40% |
| With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; laccase from Trametes versicolor; oxygen In water; acetone at 20℃; for 168h; Enzymatic reaction; | 13% |
- 467225-84-9
S-butyl α-(3-benzoylphenyl)thiopropionate
- 22071-15-4
ketoprofen
| Conditions | Yield |
|---|---|
| With potassium hydroxide In acetone for 2h; Heating; | 89% |
- 216019-59-9
neomenthyldiphenylphosphine
- 63444-57-5
3-benzoylstyrene
- 7664-93-9
sulfuric acid
- 96-22-0
pentan-3-one
- 22071-15-4
ketoprofen
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium hydroxide; CO; CuCl2; palladium dichloride In tetrahydrofuran; water; toluene | 88% |
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- 68-19-9Cyanocobalamin
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Specification
The Ketoprofen, with the CAS registry number 22071-15-4, is also known as 2-(3-Benzoylphenyl)propionic acid; 2-(meta-Benzoylphenyl) propionic acid; Alrheumat. It belongs to the product categories of Pharmaceuticals;Lipid signaling;Pharmaceutical raw material.Its EINECS number is 244-759-8.This chemical's molecular formula is C16H14O3 and molecular weight is 254.28. What's more,Its systematic name is Ketoprofen.It is a White Crystalline Solid.And it is an ibuprofen-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.
Physical properties about Ketoprofen are:
(1)ACD/LogP: 2.911; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 4.93; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 46.90; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 71.795 cm3; (14)Molar Volume: 212.246 cm3; (15)Surface Tension: 49.7709999084473 dyne/cm; (16)Density: 1.198 g/cm3; (17)Flash Point: 228.793 °C; (18)Enthalpy of Vaporization: 72.408 kJ/mol; (19)Boiling Point: 431.316 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
Uses of Ketoprofen :
Ketoprofen is a common NSAID, antipyretic, and analgesic used in horses and other equines. It is also used as a mild painkiller in smaller animals, generally following surgical procedures. It is most commonly used for muscoskeletal pain, joint problems, and soft tissue injury, as well as laminitis. It does not treat the underlying problem, nor does it speed the healing process. It is also used to control fevers and prevent endotoxemia. However, they may mask the symptoms of the underlying problem, and therefore make diagnosis more difficult for a veterinarian.
Safety Information of Ketoprofen:
The Ketoprofen is toxic by inhalation,in contact with skin and if swallowed It is irritating to eyes, respiratory system and skin.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.When you use it ,wear suitable protective clothing, gloves and eye/face protection.In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES:CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O;
(2)Std. InChI:InChI=1S/C16H14O3/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);
(3)Std. InChIKey:DKYWVDODHFEZIM-UHFFFAOYSA-N.
The toxicity data of Ketoprofen as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| child | TDLo | unreported | 300mg/kg/15D- (300mg/kg) | BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: HEADACHE | New England Journal of Medicine. Vol. 300, Pg. 796, 1979. |
| guinea pig | LD50 | intravenous | 450mg/kg (450mg/kg) | Journal de Pharmacologie. Vol. 2, Pg. 259, 1971. | |
| guinea pig | LD50 | oral | 1300mg/kg (1300mg/kg) | Journal de Pharmacologie. Vol. 2, Pg. 259, 1971. | |
| human | TDLo | oral | 714ug/kg (.714mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Journal of Clinical Pharmacology. Vol. 24, Pg. 486, 1984. |
| man | TDLo | oral | 5714ug/kg (5.714mg/kg) | Clinical Rheumatology. Vol. 10, Pg. 215, 1991. | |
| man | TDLo | oral | 5714ug/kg (5.714mg/kg) | LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" | Clinical Rheumatology. Vol. 10, Pg. 215, 1991. |
| mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 7, 1976. | |
| mouse | LD50 | intravenous | 500mg/kg (500mg/kg) | Journal de Pharmacologie. Vol. 2, Pg. 259, 1971. | |
| mouse | LD50 | oral | 360mg/kg (360mg/kg) | Polish Journal of Pharmacology and Pharmacy. Vol. 38, Pg. 107, 1986. | |
| mouse | LD50 | subcutaneous | 550mg/kg (550mg/kg) | Journal de Pharmacologie. Vol. 2, Pg. 259, 1971. | |
| rat | LD50 | intraperitoneal | 80mg/kg (80mg/kg) | Drugs in Japan Vol. 6, Pg. 265, 1982. | |
| rat | LD50 | intravenous | 350mg/kg (350mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 222, 1978. | |
| rat | LD50 | oral | 62400ug/kg (62.4mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 34, Pg. 280, 1984. | |
| rat | LD50 | rectal | 84mg/kg (84mg/kg) | GASTROINTESTINAL: PERITONITIS GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE | Journal of Toxicological Sciences. Vol. 6, Pg. 209, 1981. |
| rat | LD50 | subcutaneous | 100mg/kg (100mg/kg) | Journal de Pharmacologie. Vol. 2, Pg. 259, 1971. | |
| women | TDLo | oral | 11mg/kg/12H-I (11mg/kg) | SKIN AND APPENDAGES (SKIN): SWEATING: OTHER CARDIAC: PULSE RATE BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | Journal of Clinical Pyschopharmacology. Vol. 19, Pg. 95, 1999. |
| women | TDLo | oral | 80mg/kg/10D-I (80mg/kg) | KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" | British Medical Journal. Vol. 292, Pg. 97, 1986. |