SML1452
Ibufenac
≥95% (HPLC)
Synonym(s):
4-(2-Methylpropyl)-benzeneacetic acid, 4-Isobutylphenylacetic acid
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About This Item
Empirical Formula (Hill Notation):
C12H16O2
CAS Number:
Molecular Weight:
192.25
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
EC Number:
216-302-2
MDL number:
Assay:
≥95% (HPLC)
Form:
powder
Quality Segment
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)
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Ibufenac is a non-steroidal anti-inflammatory drug (NSAID) analog of ibuprofen that was withdrawn for hepatotoxicity.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.
Non-steroidal anti-inflammatory drug (NSAID) analog of ibuprofen, cyclooxygenase inhibitor withdrawn for hepatotoxicity
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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