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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 sodium salt
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Accession:CHEBI:140536 term browser browse the term
Definition:The sodium salt of bromfenac. Note that 'bromfenac sodium' commonly refers to the sesquihydrate (120638-55-3); this is the anhydrous form.
Synonyms:exact_synonym: sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate
 related_synonym: Formula=C15H11BrNNaO3;   InChI=1S/C15H12BrNO3.Na/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);/q;+1/p-1;   InChIKey=HZFGMQJYAFHESD-UHFFFAOYSA-M;   SMILES=[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1;   Sodium; [2-amino-3-(4-bromo-benzoyl)-phenyl]-acetate;   bromfenac sodium
 xref: Beilstein:6034130;   CAS:91714-93-1


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  CHEBI ontology 909
    role 868
      application 503
        anti-inflammatory agent 61
          anti-inflammatory drug 51
            non-steroidal anti-inflammatory drug 19
              bromfenac sodium salt 0
                bromfenac sodium salt sesquihydrate 0
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  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
                    p-block element atom 860
                      carbon group element atom 836
                        carbon atom 835
                          organic molecular entity 835
                            organic group 393
                              organic divalent group 391
                                organodiyl group 391
                                  carbonyl group 390
                                    carbonyl compound 390
                                      ketone 183
                                        aromatic ketone 36
                                          benzophenones 4
                                            bromfenac(1-) 0
                                              bromfenac sodium salt 0
                                                bromfenac sodium salt sesquihydrate 0
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