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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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Term Annotations click to browse term
  CHEBI ontology 24775
    role 24693
      application 23841
        anti-inflammatory agent 16829
          anti-inflammatory drug 14537
            non-steroidal anti-inflammatory drug 13557
              bromfenac sodium salt sesquihydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24775
    subatomic particle 24735
      composite particle 24735
        hadron 24735
          baryon 24735
            nucleon 24735
              atomic nucleus 24735
                atom 24735
                  main group element atom 24601
                    p-block element atom 24601
                      carbon group element atom 24393
                        carbon atom 24357
                          organic molecular entity 24357
                            organic group 22763
                              organic divalent group 22742
                                organodiyl group 22742
                                  carbonyl group 22729
                                    carbonyl compound 22729
                                      ketone 19063
                                        aromatic ketone 13553
                                          benzophenones 1191
                                            bromfenac(1-) 0
                                              bromfenac sodium salt 0
                                                bromfenac sodium salt sesquihydrate 0
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