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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 It was withdrawn from the US market in 1998, following concerns over off-label abuse and hepatic failure.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 0
    role 0
      application 0
        anti-inflammatory agent 0
          anti-inflammatory drug 0
            non-steroidal anti-inflammatory drug 0
              bromfenac 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
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        aromatic amine 0
                                          anilines 0
                                            substituted aniline 0
                                              amfenac 0
                                                bromfenac 0
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