loading...| Preferred Name |
loxoprofen |
|
| Synonyms |
2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid (+-)-((2-oxocyclopentyl)methyl)hydratropic acid loxoprofene loxoprofeno loxoprofenum loxoprofen |
|
| Definitions |
A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_76172 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:WO2008020270 KEGG:D08149 Patent:EP1767218 Drug_Central:1615 LINCS:LSM-5054 Reaxys:2860055 Wikipedia:Loxoprofen HMDB:HMDB0041920 CAS:68767-14-6 |
|
| definition |
A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration. |
|
| formula |
C15H18O3 |
|
| has_exact_synonym |
2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(+-)-((2-oxocyclopentyl)methyl)hydratropic acid loxoprofene loxoprofeno loxoprofenum loxoprofen |
|
| id |
CHEBI:76172 |
|
| in_subset | ||
| inchi |
InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18) |
|
| inchikey |
YMBXTVYHTMGZDW-UHFFFAOYSA-N |
|
| is_conjugate_acid_of | ||
| label |
loxoprofen |
|
| mass |
246.30160 |
|
| monoisotopicmass |
246.12559 |
|
| notation |
CHEBI:76172 |
|
| prefLabel |
loxoprofen |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35493 http://purl.obolibrary.org/obo/CHEBI_35544 http://purl.obolibrary.org/obo/CHEBI_35475 |
|
| smiles |
CC(C(O)=O)c1ccc(CC2CCCC2=O)cc1 |
|
| subClassOf |