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CHEBI:39669 - diflunisal
| Formula | C13H8F2O3 |
| Net Charge | 0 |
| Average Mass | 250.200 |
| Monoisotopic Mass | 250.04415 |
| SMILES | O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O |
| 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 |
| Wikipedia |
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| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. |
| Applications: | hypoglycemic agent A drug which lowers the blood glucose level. 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. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. antirheumatic drug A drug used to treat rheumatoid arthritis. |
| 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 analgesic (CHEBI:35480) |
| diflunisal (CHEBI:39669) has role antirheumatic drug (CHEBI:35842) |
| diflunisal (CHEBI:39669) has role hypoglycemic agent (CHEBI:35526) |
| 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 |
|---|---|
| 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 |
| NSC-756728 | ChEMBL |
| Brand Name | Source |
|---|---|
| Dolobid 500 | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 1FL | PDBeChem |
| 880 | DrugCentral |
| C01691 | KEGG COMPOUND |
| D00130 | KEGG DRUG |
| DB00861 | DrugBank |
| Diflunisal | Wikipedia |
| HMDB0014999 | HMDB |
| LSM-2490 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2654431 | Reaxys |
| CAS:22494-42-4 | ChemIDplus |
| CAS:22494-42-4 | NIST Chemistry WebBook |
| CAS:22494-42-4 | KEGG COMPOUND |
| Citations |
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