loading...| Preferred Name |
ibuprofen |
|
| Synonyms |
2-[4-(2-methylpropyl)phenyl]propanoic acid Ibuprofen (+-)-ibuprofen (+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid 4-isobutylhydratropic acid (+-)-p-isobutylhydratropic acid (4-isobutylphenyl)-alpha-methylacetic acid Ibu-Attritin (RS)-ibuprofen alpha-(4-isobutylphenyl)propionic acid Pediaprofen alpha-(p-isobutylphenyl)propionic acid 2-(4-isobutylphenyl)propanoic acid Dolo-Dolgit (+-)-2-(p-isobutylphenyl)propionic acid Adran Advil Amibufen Anco Anflagen Apsifen Bluton Brufen Brufort Buburone Butylenin Dolgin Dolgirid Dolgit Ebufac Epobron Femadon Haltran Ibumetin Ibuprocin Ibutid Inabrin Inoven Lamidon Lebrufen Liptan Medipren Motrin Mynosedin Nobfen Nobgen Nuprin Nurofen Roidenin Rufen Seclodin Suspren Tabalon Trendar Urem |
|
| Definitions |
A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5855 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:14562167 KEGG:D00126 PMID:18697608 Patent:US3228831 Reaxys:2049713 PMID:11433218 PMID:25521617 PMID:21368281 PMID:18335846 Patent:US5215755 PMID:24168233 PMID:12723739 PMID:15506544 PMID:16176022 DrugBank:DB01050 LINCS:LSM-1354 HMDB:HMDB0001925 Beilstein:2049713 Wikipedia:Ibuprofen Drug_Central:1407 PMID:29756342 KEGG:C01588 CAS:15687-27-1 PMID:25915907 PMID:25708941 Patent:US6727286 Patent:GB971700 Patent:US3385886 |
|
| definition |
A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group. |
|
| formula |
C13H18O2 |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35493 http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_50629 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35475 http://purl.obolibrary.org/obo/CHEBI_88188 http://purl.obolibrary.org/obo/CHEBI_78298 http://purl.obolibrary.org/obo/CHEBI_48578 |
|
| has_exact_synonym |
2-[4-(2-methylpropyl)phenyl]propanoic acid Ibuprofen |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(+-)-ibuprofen (+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid 4-isobutylhydratropic acid (+-)-p-isobutylhydratropic acid (4-isobutylphenyl)-alpha-methylacetic acid Ibu-Attritin (RS)-ibuprofen alpha-(4-isobutylphenyl)propionic acid Pediaprofen alpha-(p-isobutylphenyl)propionic acid 2-(4-isobutylphenyl)propanoic acid Dolo-Dolgit (+-)-2-(p-isobutylphenyl)propionic acid Adran Advil Amibufen Anco Anflagen Apsifen Bluton Brufen Brufort Buburone Butylenin Dolgin Dolgirid Dolgit Ebufac Epobron Femadon Haltran Ibumetin Ibuprocin Ibutid Inabrin Inoven Lamidon Lebrufen Liptan Medipren Motrin Mynosedin Nobfen Nobgen Nuprin Nurofen Roidenin Rufen Seclodin Suspren Tabalon Trendar Urem |
|
| has_RxCUI |
5640 |
|
| id |
CHEBI:5855 |
|
| in_subset | ||
| 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 |
|
| is conjugate acid of | ||
| label |
Ibuprofen ibuprofen |
|
| mass |
206.28082 |
|
| monoisotopicmass |
206.13068 |
|
| notation |
CHEBI:5855 |
|
| prefLabel |
ibuprofen |
|
| smiles |
CC(C)Cc1ccc(cc1)C(C)C(O)=O |
|
| subClassOf |