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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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        anti-inflammatory agent 0
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            non-steroidal anti-inflammatory drug 0
              bromfenac sodium salt sesquihydrate 0
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    subatomic particle 0
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        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      ketone 0
                                        aromatic ketone 0
                                          benzophenones 0
                                            bromfenac(1-) 0
                                              bromfenac sodium salt 0
                                                bromfenac sodium salt sesquihydrate 0
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