CHEBI:39669 - diflunisal

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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
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Formula C13H8F2O3
Net Charge 0
Average Mass 250.19760
Monoisotopic Mass 250.044
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.
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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
Manual Xrefs Databases
1FL PDBeChem
880 DrugCentral
C01691 KEGG COMPOUND
D00130 KEGG DRUG
DB00861 DrugBank
Diflunisal Wikipedia
HMDB0014999 HMDB
LSM-2490 LINCS
View more database links
Registry Numbers Types Sources
22494-42-4 CAS Registry Number ChemIDplus
22494-42-4 CAS Registry Number NIST Chemistry WebBook
2654431 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23144359 PubMed citation Europe PMC
23416065 PubMed citation Europe PMC
28166217 PubMed citation Europe PMC
Last Modified
14 June 2017