diflunisal (CHEBI:39669)

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ChEBI Name	diflunisal

ChEBI ID	CHEBI:39669

Definition	An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position.

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

Secondary ChEBI IDs	CHEBI:39656, CHEBI:4538

Supplier Information

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Formula

C13H8F2O3

Net Charge

Average Mass

250.19760

Monoisotopic Mass

250.04415

InChI

InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)

InChIKey

HUPFGZXOMWLGNK-UHFFFAOYSA-N

SMILES

OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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	diflunisal (CHEBI:39669) has functional parent 1,3-difluorobenzene (CHEBI:38584) diflunisal (CHEBI:39669) has functional parent salicylic acid (CHEBI:16914) diflunisal (CHEBI:39669) has role non-narcotic analgesic (CHEBI:35481) diflunisal (CHEBI:39669) has role non-steroidal anti-inflammatory drug (CHEBI:35475) diflunisal (CHEBI:39669) is a monohydroxybenzoic acid (CHEBI:25389) diflunisal (CHEBI:39669) is a organofluorine compound (CHEBI:37143)

IUPAC Name

2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid

Synonyms	Sources
2',4'-difluoro-4-hydroxy-3-biphenylcarboxylic acid	NIST Chemistry WebBook
2-(hydroxy)-5-(2,4-difluorophenyl)benzoic acid	ChemIDplus
5-(2,4-difluorophenyl)salicylic acid	ChemIDplus
Diflunisal	KEGG COMPOUND
Dolobid	ChemIDplus

Last Modified

14 June 2017