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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:bromfenac
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Accession:CHEBI:240107 term browser browse the term
Definition:Amfenac in which the the hydrogen at the 4 position of the benzoyl group is substituted by bromine. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction. It was withdrawn from the US market in 1998, following concerns over off-label abuse and hepatic failure.
Synonyms:exact_synonym: [2-amino-3-(4-bromobenzoyl)phenyl]acetic acid
 related_synonym: 2-amino-3-(4-bromobenzoyl)benzeneacetic acid;   Formula=C15H12BrNO3;   InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19);   InChIKey=ZBPLOVFIXSTCRZ-UHFFFAOYSA-N;   SMILES=Nc1c(CC(O)=O)cccc1C(=O)c1ccc(Br)cc1;   [2-Amino-3-(4-bromo-benzoyl)-phenyl]-acetic acid;   bromfenaco;   bromfenacum
 xref: Beilstein:8335547;   CAS:91714-94-2;   DrugBank:DB00963;   Drug_Central:401;   KEGG:D07541;   LINCS:LSM-5585
 xref_mesh: MESH:C053083
 xref: Patent:EP221753;   Patent:US4683242;   Wikipedia:Bromfenac
 cyclic_relationship: is_conjugate_acid_of CHEBI:59175


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Path 1
Term Annotations click to browse term
  CHEBI ontology 909
    role 868
      application 503
        anti-inflammatory agent 61
          anti-inflammatory drug 51
            non-steroidal anti-inflammatory drug 19
              bromfenac 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 909
    subatomic particle 894
      composite particle 894
        hadron 894
          baryon 894
            nucleon 894
              atomic nucleus 894
                atom 894
                  main group element atom 863
                    main group molecular entity 861
                      s-block molecular entity 746
                        hydrogen molecular entity 733
                          hydrides 354
                            inorganic hydride 246
                              pnictogen hydride 242
                                nitrogen hydride 242
                                  azane 235
                                    ammonia 235
                                      organic amino compound 235
                                        aromatic amine 37
                                          anilines 11
                                            substituted aniline 10
                                              amfenac 0
                                                bromfenac 0
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