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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: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. radical scavenger A role played by a substance that can react readily with, and thereby eliminate, radicals. 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. cyclooxygenase 1 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1. cyclooxygenase 2 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2. drug allergen Any drug which causes the onset of an allergic reaction. |
| Applications: | geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. 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) |
| 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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