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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
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;   Drug_Central:3293;   KEGG:D01963
 xref_mesh: MESH:C100118
 xref: PMID:1479559;   PMID:16456879;   PMID:21128314;   PMID:2585272;   PMID:3215965;   PMID:5329891;   PMID:5657238;   PMID:5748163;   PMID:5752436;   PMID:5807207;   PMID:687781;   PMID:7587932;   PMID:9061203;   Patent:US2008014272;   Patent:US2011212904;   Patent:US4391814;   Patent:WO2010013279;   Reaxys:2046683

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        aetiopathogenetic role 0
          hepatotoxic agent 0
            ibufenac 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        acetic acid 0
                                          ibufenac 0
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