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Accession:CHEBI:76158 term browser browse the term
Definition:A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatotoxic side-effects.
Synonyms:exact_synonym: (4-isobutylphenyl)acetic acid;   [4-(2-methylpropyl)phenyl]acetic acid
 related_synonym: (p-Isobutylphenyl)acetic acid;   4-(2-Methylpropyl)benzeneacetic acid;   4-Isobutylphenylacetic acid;   Dytransin;   Formula=C12H16O2;   Ibunac;   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);   InChIKey=CYWFCPPBTWOZSF-UHFFFAOYSA-N;   SMILES=CC(C)Cc1ccc(CC(O)=O)cc1;   ibufenaco;   ibufenacum
 xref: CAS:1553-60-2 "ChemIDplus";   CAS:1553-60-2 "KEGG DRUG";   Drug_Central:3293 "DrugCentral";   KEGG:D01963
 xref_mesh: MESH:C100118
 xref: PMID:1479559 "Europe PMC";   PMID:16456879 "Europe PMC";   PMID:21128314 "Europe PMC";   PMID:2585272 "Europe PMC";   PMID:3215965 "Europe PMC";   PMID:5329891 "Europe PMC";   PMID:5657238 "Europe PMC";   PMID:5748163 "Europe PMC";   PMID:5752436 "Europe PMC";   PMID:5807207 "Europe PMC";   PMID:687781 "Europe PMC";   PMID:7587932 "Europe PMC";   PMID:9061203 "Europe PMC";   Patent:US2008014272;   Patent:US2011212904;   Patent:US4391814;   Patent:WO2010013279;   Reaxys:2046683 "Reaxys"

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  CHEBI ontology 19728
    role 19675
      biological role 19673
        aetiopathogenetic role 18781
          hepatotoxic agent 14282
            ibufenac 0
Path 2
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  CHEBI ontology 19728
    subatomic particle 19724
      composite particle 19724
        hadron 19724
          baryon 19724
            nucleon 19724
              atomic nucleus 19724
                atom 19724
                  main group element atom 19610
                    p-block element atom 19610
                      carbon group element atom 19501
                        carbon atom 19494
                          organic molecular entity 19494
                            organic group 18413
                              organic divalent group 18404
                                organodiyl group 18404
                                  carbonyl group 18293
                                    carbonyl compound 18293
                                      carboxylic acid 17960
                                        monocarboxylic acid 17264
                                          acetic acid 10581
                                            ibufenac 0
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