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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 400
    role 400
      application 354
        anti-inflammatory agent 30
          anti-inflammatory drug 20
            non-steroidal anti-inflammatory drug 10
              bromfenac sodium salt 0
                bromfenac sodium salt sesquihydrate 0
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  CHEBI ontology 400
    subatomic particle 400
      composite particle 400
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            nucleon 400
              atomic nucleus 400
                atom 400
                  main group element atom 393
                    p-block element atom 393
                      carbon group element atom 381
                        carbon atom 380
                          organic molecular entity 380
                            organic group 314
                              organic divalent group 313
                                organodiyl group 313
                                  carbonyl group 313
                                    carbonyl compound 313
                                      ketone 48
                                        aromatic ketone 9
                                          benzophenones 0
                                            bromfenac(1-) 0
                                              bromfenac sodium salt 0
                                                bromfenac sodium salt sesquihydrate 0
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