S-(+)-Ketoprofen

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Names

[ CAS No. ]:
22161-81-5

[ Name ]:
S-(+)-Ketoprofen

[Synonym ]:
S-ketoprofen
(S)-Ketoprofen
(2S)-2-(3-Benzoylphenyl)propanoic acid
(S)-3-Benzoyl-a-methylbenzeneacetic Acid
MFCD00673316
Benzeneacetic acid, 3-benzoyl-α-methyl-, (αS)-
(+)-(S)-m-Benzoylhydratropic acid
Dexketoprofen
(+)-3-Benzoylhydratropic acid
Keral
(S)-(+)-2-(3-Benzoylphenyl)propionic acid
(+)-Ketoprofen
(S)-(+)-Ketoprofen
S-(+)-Ketoprofen
(2S)-2-(3-Benzoylphenyl)propionic Acid

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
431.3±28.0 °C at 760 mmHg

[ Melting Point ]:
75-78ºC(lit.)

[ Molecular Formula ]:
C16H14O3

[ Molecular Weight ]:
254.281

[ Flash Point ]:
228.8±20.5 °C

[ Exact Mass ]:
254.094299

[ PSA ]:
54.37000

[ LogP ]:
2.81

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.592

[ Storage condition ]:
-20°C Freezer

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1572790
CHEMICAL NAME :
Benzeneacetic acid, 3-benzoyl-alpha-methyl-, (S)-
CAS REGISTRY NUMBER :
22161-81-5
LAST UPDATED :
199606
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H14-O3
MOLECULAR WEIGHT :
254.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
225 mg/kg/90D-I
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 30,101,1996

Safety Information

[ Symbol ]:

GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H315-H319-H335-H400

[ Precautionary Statements ]:
P261-P273-P301 + P310-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R25;R36/37/38

[ Safety Phrases ]:
26-60-61

[ RIDADR ]:
UN 2811 6

[ WGK Germany ]:
3

[ RTECS ]:
CY1572790

[ Hazard Class ]:
6.1

[ HS Code ]:
2942000000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl 2-(3-benzoylphenyl)propanoate
  • ketoprofen
  • 3-benzoyl-α-methylbenzeneacetic acid chloride
  • methyl α-(m-benzoylphenyl)-propionate
  • ketoprofen 2-chloroethyl ester
  • 2-(3-Bromophenyl)-2-methyl-1,3-dioxolane
  • 1-[3-(trimethylsilyl)phenyl]ethanone
  • m-Bromoacetophenone

DownStream

  • 3-Ehylbenzophenone

Customs

[ HS Code ]: 2942000000

Articles

Hologram QSAR model for the prediction of human oral bioavailability.

Bioorg. Med. Chem. 15 , 7738-45, (2007)

A drug intended for use in humans should have an ideal balance of pharmacokinetics and safety, as well as potency and selectivity. Unfavorable pharmacokinetics can negatively affect the clinical devel...

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Scope of partial least-squares regression applied to the enantiomeric composition determination of ketoprofen from strongly overlapped chromatographic profiles.

J. Sep. Sci. 38 , 2423-30, (2015)

Valuable quantitative information could be obtained from strongly overlapped chromatographic profiles of two enantiomers by using proper chemometric methods. Complete separation profiles where the pea...


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Related Compounds

  • S-(+)-1-sec-Butyl-4-nitrobenzol
  • (S)-(+)-1-METHYLPROPYL 4-METHYLBENZENESULFONATE
  • (S)-(+)-3-benzyloxy-2-methylpropyl bromide
  • (S)-(+)-2-Hexanol
  • (S)-(+)-γ-Hydroxy-γ-methylbutyrate
  • S-(+)-Rolipram
  • 4-Chloro-1-ethoxy-2-iodo-benzene
  • Methyl 2-(2-{[1-(prop-2-enoyl)piperidin-4-yl]formamido}ethyl)benzoate
  • N-Ethyl-N-[2-(1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]prop-2-enamide
  • 6-Fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]pyridine-3-carboxamide
  • 5-[(3-Bromo-2-pyridinyl)oxy]-2-ethoxypyrimidine
  • 4-Ethenyl-2,6-bis(trifluoromethyl)phenol
  • N-ethyl-N-({[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl}methyl)prop-2-enamide
  • N-{[(1-cyclopentyl-5-methyl-1H-pyrazol-4-yl)carbamoyl]methyl}-N-ethylprop-2-enamide
  • N-Ethyl-N-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]prop-2-enamide
  • N-Ethyl-N-[2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]prop-2-enamide
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