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CHEBI:47381 - diclofenac
| Formula | C14H11Cl2NO2 |
| Net Charge | 0 |
| Average Mass | 296.153 |
| Monoisotopic Mass | 295.01668 |
| SMILES | O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl |
| InChI | InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) |
| InChIKey | DCOPUUMXTXDBNB-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. drug allergen Any drug which causes the onset of an allergic reaction. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. |
| Applications: | antipyretic A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. 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. drug allergen Any drug which causes the onset of an allergic reaction. 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 Relation(s) |
| diclofenac (CHEBI:47381) has functional parent diphenylamine (CHEBI:4640) |
| diclofenac (CHEBI:47381) has functional parent phenylacetic acid (CHEBI:30745) |
| diclofenac (CHEBI:47381) has role antipyretic (CHEBI:35493) |
| diclofenac (CHEBI:47381) has role drug allergen (CHEBI:88188) |
| diclofenac (CHEBI:47381) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544) |
| diclofenac (CHEBI:47381) has role environmental contaminant (CHEBI:78298) |
| diclofenac (CHEBI:47381) has role non-narcotic analgesic (CHEBI:35481) |
| diclofenac (CHEBI:47381) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| diclofenac (CHEBI:47381) has role xenobiotic (CHEBI:35703) |
| diclofenac (CHEBI:47381) is a amino acid (CHEBI:33709) |
| diclofenac (CHEBI:47381) is a aromatic amine (CHEBI:33860) |
| diclofenac (CHEBI:47381) is a dichlorobenzene (CHEBI:23697) |
| diclofenac (CHEBI:47381) is a monocarboxylic acid (CHEBI:25384) |
| diclofenac (CHEBI:47381) is a secondary amino compound (CHEBI:50995) |
| diclofenac (CHEBI:47381) is conjugate acid of diclofenac(1−) (CHEBI:48311) |
| Incoming Relation(s) |
| 3'-hydroxy-4'-methoxydiclofenac (CHEBI:223404) has functional parent diclofenac (CHEBI:47381) |
| 3'-hydroxydiclofenac (CHEBI:223792) has functional parent diclofenac (CHEBI:47381) |
| 4'-hydroxydiclofenac (CHEBI:59613) has functional parent diclofenac (CHEBI:47381) |
| 4'-hydroxydiclofenac quinone imine (CHEBI:59610) has functional parent diclofenac (CHEBI:47381) |
| 4',5-dihydroxydiclofenac (CHEBI:223401) has functional parent diclofenac (CHEBI:47381) |
| 5-hydroxydiclofenac (CHEBI:59612) has functional parent diclofenac (CHEBI:47381) |
| 5-hydroxydiclofenac quinone imine (CHEBI:59611) has functional parent diclofenac (CHEBI:47381) |
| aceclofenac (CHEBI:31159) has functional parent diclofenac (CHEBI:47381) |
| diclofenac β-D-glucosiduronic acid (CHEBI:59609) has functional parent diclofenac (CHEBI:47381) |
| diclofenac(1−) (CHEBI:48311) is conjugate base of diclofenac (CHEBI:47381) |
| IUPAC Names |
|---|
| {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid |
| 2-[(2,6-dichlorophenyl)amino]benzeneacetic acid |
| INNs | Source |
|---|---|
| diclofenac | ChemIDplus |
| diclofenacum | ChemIDplus |
| diclofenaco | ChemIDplus |
| Synonyms | Source |
|---|---|
| Diclofenac | KEGG COMPOUND |
| 2-((2,6-dichlorophenyl)amino)benzeneacetic acid | ChemIDplus |
| diclofenac acid | ChemIDplus |
| [2-(2,6-dichloroanilino)phenyl]acetic acid | NIST Chemistry WebBook |
| diclofenamic acid | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2146636 | Reaxys |
| CAS:15307-86-5 | KEGG COMPOUND |
| CAS:15307-86-5 | ChemIDplus |
| CAS:15307-86-5 | NIST Chemistry WebBook |
| Citations |
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