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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 sesquihydrate
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Accession:CHEBI:59176 term browser browse the term
Definition:The sesquihydrate of the sodium salt of bromfenac. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction.
Synonyms:exact_synonym: sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate--water (2/3)
 related_synonym: Formula=C30H28Br2N2Na2O9;   InChI=1S/2C15H12BrNO3.2Na.3H2O/c2*16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;;;;;/h2*1-7H,8,17H2,(H,18,19);;;3*1H2/q;;2*+1;;;/p-2;   InChIKey=PPOSVVJOVKVBPW-UHFFFAOYSA-L;   SMILES=O.O.O.[Na+].[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1.Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1;   bromfenac monosodium salt sesquihydrate;   bromfenac sodium;   bromfenac sodium hydrate;   sodium 2-amino-3-(4-bromobenzoyl) phenylacetate sesquihydrate;   sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate sesquihydrate;   sodium [2-amino-3-(p-bromobenzoyl)phenyl]acetate sesquihydrate
 xref: CAS:120638-55-3;   DrugBank:DB00963;   KEGG:D03163


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  CHEBI ontology 19781
    role 19726
      application 19412
        anti-inflammatory agent 15759
          anti-inflammatory drug 13624
            non-steroidal anti-inflammatory drug 12714
              bromfenac sodium salt sesquihydrate 0
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  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic group 18620
                              organic divalent group 18611
                                organodiyl group 18611
                                  carbonyl group 18526
                                    carbonyl compound 18526
                                      ketone 16828
                                        aromatic ketone 12095
                                          benzophenones 1190
                                            bromfenac(1-) 0
                                              bromfenac sodium salt 0
                                                bromfenac sodium salt sesquihydrate 0
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