bromfenac sodium salt sesquihydrate (CHEBI:59176)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	bromfenac sodium salt sesquihydrate

ChEBI ID	CHEBI:59176

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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C30H28Br2N2Na2O9

Net Charge

Average Mass

766.33900

Monoisotopic Mass

763.99569

InChI

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

Roles Classification
Biological Role(s):	non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.

Application(s):	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. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.

ChEBI Ontology
Outgoing	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	Sources
bromfenac monosodium salt sesquihydrate	ChEBI
bromfenac sodium	KEGG DRUG
bromfenac sodium hydrate	KEGG DRUG
sodium 2-amino-3-(4-bromobenzoyl) phenylacetate sesquihydrate	ChemIDplus
sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate sesquihydrate	ChEBI
sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate sesquihydrate	IUPAC
sodium [2-amino-3-(p-bromobenzoyl)phenyl]acetate sesquihydrate	ChEBI

Registry Number	Type	Source
120638-55-3	CAS Registry Number	ChemIDplus

Last Modified

21 January 2016