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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 19773
    role 19719
      application 19403
        anti-inflammatory agent 15766
          anti-inflammatory drug 13625
            non-steroidal anti-inflammatory drug 12715
              bromfenac sodium salt sesquihydrate 0
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  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19579
                        carbon atom 19569
                          organic molecular entity 19569
                            organic group 18613
                              organic divalent group 18604
                                organodiyl group 18604
                                  carbonyl group 18521
                                    carbonyl compound 18521
                                      ketone 16833
                                        aromatic ketone 12095
                                          benzophenones 1190
                                            bromfenac(1-) 0
                                              bromfenac sodium salt 0
                                                bromfenac sodium salt sesquihydrate 0
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