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Safety Information

SML1452

Sigma-Aldrich

Ibufenac

≥95% (HPLC)

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Synonym(s):
4-(2-Methylpropyl)-benzeneacetic acid, 4-Isobutylphenylacetic acid
Empirical Formula (Hill Notation):
C12H16O2
CAS Number:
1553-60-2
Molecular Weight:
192.25
EC Number:
216-302-2
MDL number:
MFCD00864374
UNSPSC Code:
12352200
PubChem Substance ID:
329825891
NACRES:
NA.77

Quality Level

100

Assay

≥95% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 20 mg/mL, clear

storage temp.

−20°C

SMILES string

OC(CC1=CC=C(CC(C)C)C=C1)=O

InChI

1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)

InChI key

CYWFCPPBTWOZSF-UHFFFAOYSA-N

Gene Information

human ... PTGS1(5742) , PTGS2(5743)

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Biochem/physiol Actions

Ibufenac is a non-steroidal anti-inflammatory drug (NSAID) analog of ibuprofen that was withdrawn for hepatotoxicity. It inhibits cyclooxygenases COX-1 and -2 activity with IC50 values of 17.4 and 13.1 μM, respectively and > 40 μM for 5-LOX. It has been used in studies of drug-induced hepatotoxicity.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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