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CHEBI:59176 - bromfenac sodium salt sesquihydrate

ChEBI IDCHEBI:59176
ChEBI Namebromfenac sodium salt sesquihydrate
Stars
DefinitionThe 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.
Last Modified21 January 2016
SubmitterGareth Owen
DownloadsMolfile
Formula2C15H11BrNO3.3H2O.2Na
Net Charge0
Average Mass766.347
Monoisotopic Mass763.99569
SMILESNc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.O.O.O.[Na+].[Na+]
InChIInChI=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
InChIKeyPPOSVVJOVKVBPW-UHFFFAOYSA-L
Roles Classification
Biological Role:
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
Applications:
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
non-steroidal anti-inflammatory drug  An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
ChEBI Ontology
Outgoing Relation(s)
bromfenac sodium salt sesquihydrate (CHEBI:59176) has part bromfenac sodium salt (CHEBI:140536)
bromfenac sodium salt sesquihydrate (CHEBI:59176) has role non-narcotic analgesic (CHEBI:35481)
bromfenac sodium salt sesquihydrate (CHEBI:59176) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
bromfenac sodium salt sesquihydrate (CHEBI:59176) is a hydrate (CHEBI:35505)
IUPAC Name 
sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate—water (2/3)
Synonyms  Source
sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate sesquihydrateIUPAC
sodium 2-amino-3-(4-bromobenzoyl) phenylacetate sesquihydrateChemIDplus
bromfenac sodium hydrateKEGG DRUG
sodium [2-amino-3-(p-bromobenzoyl)phenyl]acetate sesquihydrateChEBI
sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate sesquihydrateChEBI
bromfenac sodiumKEGG DRUG
Manual XrefsDatabases
DB00963DrugBank
D03163KEGG DRUG
Registry NumbersSources
CAS:120638-55-3ChemIDplus