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ONTOLOGY REPORT - ANNOTATIONS


Term:ibufenac
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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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Term Annotations click to browse term
  CHEBI ontology 19669
    role 19613
      biological role 19611
        aetiopathogenetic role 18766
          hepatotoxic agent 14277
            ibufenac 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        monocarboxylic acid 17256
                                          acetic acid 10579
                                            ibufenac 0
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