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CHEBI:5855 - ibuprofen
| Formula | C13H18O2 |
| Net Charge | 0 |
| Average Mass | 206.285 |
| Monoisotopic Mass | 206.13068 |
| SMILES | CC(C)Cc1ccc(C(C)C(=O)O)cc1 |
| InChI | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
| InChIKey | HEFNNWSXXWATRW-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Roles: | radical scavenger A role played by a substance that can react readily with, and thereby eliminate, radicals. 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. cyclooxygenase 1 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1. drug allergen Any drug which causes the onset of an allergic reaction. cyclooxygenase 2 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2. 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-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. 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. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. 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) |
| ibuprofen (CHEBI:5855) has functional parent propionic acid (CHEBI:30768) |
| ibuprofen (CHEBI:5855) has role antipyretic (CHEBI:35493) |
| ibuprofen (CHEBI:5855) has role cyclooxygenase 1 inhibitor (CHEBI:50630) |
| ibuprofen (CHEBI:5855) has role cyclooxygenase 2 inhibitor (CHEBI:50629) |
| ibuprofen (CHEBI:5855) has role drug allergen (CHEBI:88188) |
| ibuprofen (CHEBI:5855) has role environmental contaminant (CHEBI:78298) |
| ibuprofen (CHEBI:5855) has role geroprotector (CHEBI:176497) |
| ibuprofen (CHEBI:5855) has role non-narcotic analgesic (CHEBI:35481) |
| ibuprofen (CHEBI:5855) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| ibuprofen (CHEBI:5855) has role radical scavenger (CHEBI:48578) |
| ibuprofen (CHEBI:5855) has role xenobiotic (CHEBI:35703) |
| ibuprofen (CHEBI:5855) is a monocarboxylic acid (CHEBI:25384) |
| ibuprofen (CHEBI:5855) is conjugate acid of ibuprofen(1−) (CHEBI:132922) |
| Incoming Relation(s) |
| carboxyibuprofen (CHEBI:133199) has functional parent ibuprofen (CHEBI:5855) |
| ibuproxam (CHEBI:76160) has functional parent ibuprofen (CHEBI:5855) |
| dexibuprofen (CHEBI:43415) is a ibuprofen (CHEBI:5855) |
| levibuprofen (CHEBI:47835) is a ibuprofen (CHEBI:5855) |
| ibuprofen(1−) (CHEBI:132922) is conjugate base of ibuprofen (CHEBI:5855) |
| IUPAC Name |
|---|
| 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| Synonyms | Source |
|---|---|
| 2-(4-isobutylphenyl)propanoic acid | NIST Chemistry WebBook |
| (±)-2-(p-isobutylphenyl)propionic acid | ChemIDplus |
| 4-isobutylhydratropic acid | ChemIDplus |
| (4-isobutylphenyl)-α-methylacetic acid | ChemIDplus |
| (±)-p-isobutylhydratropic acid | ChemIDplus |
| (±)-ibuprofen | ChemIDplus |
| Brand Names | Source |
|---|---|
| Adran | DrugBank |
| Advil | DrugBank |
| Amibufen | DrugBank |
| Anco | DrugBank |
| Anflagen | DrugBank |
| Apsifen | DrugBank |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2049713 | Reaxys |
| CAS:15687-27-1 | ChemIDplus |
| CAS:15687-27-1 | NIST Chemistry WebBook |
| CAS:15687-27-1 | KEGG COMPOUND |
| Citations |
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