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CHEBI:39669 - diflunisal

ChEBI IDCHEBI:39669
ChEBI Namediflunisal
Stars
DefinitionAn organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position.
Secondary ChEBI IDsCHEBI:4538, CHEBI:39656
Last Modified14 June 2017
DownloadsMolfile
FormulaC13H8F2O3
Net Charge0
Average Mass250.200
Monoisotopic Mass250.04415
SMILESO=C(O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=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)
InChIKeyHUPFGZXOMWLGNK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
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  Source
DiflunisalKEGG COMPOUND
DolobidChemIDplus
2-(hydroxy)-5-(2,4-difluorophenyl)benzoic acidChemIDplus
5-(2,4-difluorophenyl)salicylic acidChemIDplus
2',4'-difluoro-4-hydroxy-3-biphenylcarboxylic acidNIST Chemistry WebBook
Manual XrefsDatabases
C01691KEGG COMPOUND
D00130KEGG DRUG
1FLPDBeChem
DiflunisalWikipedia
DB00861DrugBank
HMDB0014999HMDB
LSM-2490LINCS
880DrugCentral
Registry NumbersSources
Reaxys:2654431Reaxys
CAS:22494-42-4KEGG COMPOUND
CAS:22494-42-4ChemIDplus
CAS:22494-42-4NIST Chemistry WebBook
Citations