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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 21737
    role 21715
      application 21221
        anti-inflammatory agent 16578
          anti-inflammatory drug 14018
            non-steroidal anti-inflammatory drug 12989
              bromfenac sodium salt 0
                bromfenac sodium salt sesquihydrate 0
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  CHEBI ontology 21737
    subatomic particle 21723
      composite particle 21723
        hadron 21723
          baryon 21723
            nucleon 21723
              atomic nucleus 21723
                atom 21723
                  main group element atom 21638
                    p-block element atom 21638
                      carbon group element atom 21444
                        carbon atom 21345
                          organic molecular entity 21345
                            organic group 19925
                              organic divalent group 19912
                                organodiyl group 19912
                                  carbonyl group 19897
                                    carbonyl compound 19897
                                      ketone 17726
                                        aromatic ketone 12267
                                          benzophenones 1193
                                            bromfenac(1-) 0
                                              bromfenac sodium salt 0
                                                bromfenac sodium salt sesquihydrate 0
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