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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. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. drug allergen Any drug which causes the onset of an allergic reaction. 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: | non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. drug allergen Any drug which causes the onset of an allergic reaction. 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. |
| 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]benzeneacetic acid |
| {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid |
| INNs | Source |
|---|---|
| diclofenac | ChemIDplus |
| diclofenaco | ChemIDplus |
| diclofenacum | ChemIDplus |
| Synonyms | Source |
|---|---|
| [2-(2,6-dichloroanilino)phenyl]acetic acid | NIST Chemistry WebBook |
| 2-((2,6-dichlorophenyl)amino)benzeneacetic acid | ChemIDplus |
| Diclofenac | KEGG COMPOUND |
| diclofenac acid | ChemIDplus |
| 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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