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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | dexketoprofen | |
| Synonyms |
dexketoprofen (+)-(S)-m-Benzoylhydratropic acid (S)-Ketoprofen (S)-3-Benzoyl-alpha-methylbenzeneacetic acid (+)-3-Benzoylhydratropic acid (+)-Ketoprofen (2S)-2-(3-benzoylphenyl)propanoic acid |
|
| Definitions |
A monocarboxylic acid that is (S)-hydratropic acid substituted at position 3 on the phenyl ring by a benzoyl group. A cyclooxygenase inhibitor, it is used to relieve short-term pain, such as muscular pain, dental pain and dysmenorrhoea. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_76128 |
|
| charge |
0
|
|
| database_cross_reference |
Patent:WO2008150324 PMID:23407378 PMID:22081874 Wikipedia:Dexketoprofen PMID:22577544 PMID:23208967 PMID:23562407 PMID:23360885 Reaxys:5271646 PMID:23298631 PMID:23695075 LINCS:LSM-5547 PMID:23630432 Patent:WO2005046575 HMDB:HMDB0041873 Drug_Central:833 PMID:23127168 KEGG:D07269 PMID:23891968 Patent:WO2008115572 CAS:22161-81-5 PMID:22425338
|
|
| definition |
A monocarboxylic acid that is (S)-hydratropic acid substituted at position 3 on the phenyl ring by a benzoyl group. A cyclooxygenase inhibitor, it is used to relieve short-term pain, such as muscular pain, dental pain and dysmenorrhoea.
|
|
| formula |
C16H14O3
|
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_50629 http://purl.obolibrary.org/obo/CHEBI_35475 |
|
| has_exact_synonym |
(2S)-2-(3-benzoylphenyl)propanoic acid
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
dexketoprofen (+)-(S)-m-Benzoylhydratropic acid (S)-Ketoprofen (S)-3-Benzoyl-alpha-methylbenzeneacetic acid (+)-3-Benzoylhydratropic acid (+)-Ketoprofen
|
|
| id |
CHEBI:76128
|
|
| 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)/t11-/m0/s1
|
|
| inchikey |
DKYWVDODHFEZIM-NSHDSACASA-N
|
|
| label |
dexketoprofen
|
|
| mass |
254.28060
|
|
| monoisotopicmass |
254.09429
|
|
| notation |
CHEBI:76128
|
|
| prefLabel |
dexketoprofen
|
|
| smiles |
C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1
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| treeView | ||
| subClassOf |
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