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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | ketoprofen | |
| Synonyms |
3-Benzoyl-alpha-methylbenzeneacetic acid Orudis (TN) 3-Benzoylhydratropic acid m-Benzoylhydratropic acid 2-(3-Benzoylphenyl)propionic acid L'Acide (benzoyl-3-phenyl)-2-propionique 2-(3-benzoylphenyl)propanoic acid Ketoprofen |
|
| Definitions |
An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6128 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:12772856 DrugBank:DB01009 Wikipedia:Ketoprofen HMDB:HMDB0015144 LINCS:LSM-1955 PMID:18969772 PMID:11452775 Drug_Central:1528 CAS:22071-15-4 KEGG:D00132 KEGG:C01716 Reaxys:2216071
|
|
| definition |
An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.
|
|
| formula |
C16H14O3
|
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35493 http://purl.obolibrary.org/obo/CHEBI_35544 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35475 |
|
| has_exact_synonym |
2-(3-benzoylphenyl)propanoic acid Ketoprofen
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
3-Benzoyl-alpha-methylbenzeneacetic acid Orudis (TN) 3-Benzoylhydratropic acid m-Benzoylhydratropic acid 2-(3-Benzoylphenyl)propionic acid L'Acide (benzoyl-3-phenyl)-2-propionique
|
|
| id |
CHEBI:6128
|
|
| in_subset | ||
| 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
|
|
| label |
ketoprofen
|
|
| mass |
254.28056
|
|
| monoisotopicmass |
254.09429
|
|
| notation |
CHEBI:6128
|
|
| prefLabel |
ketoprofen
|
|
| smiles |
CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
|
|
| treeView | ||
| subClassOf |
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