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CHEBI:6128 - ketoprofen
| Formula | C16H14O3 |
| Net Charge | 0 |
| Average Mass | 254.285 |
| Monoisotopic Mass | 254.09429 |
| SMILES | CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 |
| InChI | InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) |
| InChIKey | DKYWVDODHFEZIM-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. 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. 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: | 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) |
| ketoprofen (CHEBI:6128) has functional parent propionic acid (CHEBI:30768) |
| ketoprofen (CHEBI:6128) has role antipyretic (CHEBI:35493) |
| ketoprofen (CHEBI:6128) has role drug allergen (CHEBI:88188) |
| ketoprofen (CHEBI:6128) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544) |
| ketoprofen (CHEBI:6128) has role environmental contaminant (CHEBI:78298) |
| ketoprofen (CHEBI:6128) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| ketoprofen (CHEBI:6128) has role xenobiotic (CHEBI:35703) |
| ketoprofen (CHEBI:6128) is a benzophenones (CHEBI:22726) |
| ketoprofen (CHEBI:6128) is a oxo monocarboxylic acid (CHEBI:35871) |
| IUPAC Name |
|---|
| 2-(3-benzoylphenyl)propanoic acid |
| Synonyms | Source |
|---|---|
| 2-(3-Benzoylphenyl)propionic acid | ChemIDplus |
| 3-Benzoylhydratropic acid | ChemIDplus |
| 3-Benzoyl-α-methylbenzeneacetic acid | NIST Chemistry WebBook |
| Ketoprofen | KEGG COMPOUND |
| L'Acide (benzoyl-3-phenyl)-2-propionique | NIST Chemistry WebBook |
| m-Benzoylhydratropic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 1528 | DrugCentral |
| C01716 | KEGG COMPOUND |
| D00132 | KEGG DRUG |
| DB01009 | DrugBank |
| HMDB0015144 | HMDB |
| Ketoprofen | Wikipedia |
| LSM-1955 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2216071 | Reaxys |
| CAS:22071-15-4 | NIST Chemistry WebBook |
| CAS:22071-15-4 | KEGG COMPOUND |
| CAS:22071-15-4 | ChemIDplus |
| Citations |
|---|