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The Drug Ontology
Last uploaded:
December 20, 2024
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| Preferred Name | diflunisal | |
| Synonyms |
2-(hydroxy)-5-(2,4-difluorophenyl)benzoic acid 2',4'-difluoro-4-hydroxy-3-biphenylcarboxylic acid 5-(2,4-difluorophenyl)salicylic acid Dolobid 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid Diflunisal |
|
| Definitions |
An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_39669 |
|
| alternative label |
2-(hydroxy)-5-(2,4-difluorophenyl)benzoic acid 2',4'-difluoro-4-hydroxy-3-biphenylcarboxylic acid 5-(2,4-difluorophenyl)salicylic acid Dolobid 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid Diflunisal
|
|
| charge |
0
|
|
| database_cross_reference |
LINCS:LSM-2490 KEGG:D00130 Wikipedia:Diflunisal KEGG:C01691 PMID:23144359 PDBeChem:1FL HMDB:HMDB0014999 DrugBank:DB00861 PMID:28166217 PMID:23416065 CAS:22494-42-4 Reaxys:2654431 Drug_Central:880
|
|
| definition |
An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position.
|
|
| formula |
C13H8F2O3
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|
| has characteristic | ||
| has functional parent | ||
| has role | ||
| has_alternative_id |
CHEBI:39656 CHEBI:4538
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|
| has_exact_synonym |
2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid Diflunisal
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
2-(hydroxy)-5-(2,4-difluorophenyl)benzoic acid 2',4'-difluoro-4-hydroxy-3-biphenylcarboxylic acid 5-(2,4-difluorophenyl)salicylic acid Dolobid
|
|
| has_RxCUI |
3393
|
|
| id |
CHEBI:39669
|
|
| in_subset | ||
| inchi |
InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
|
|
| inchikey |
HUPFGZXOMWLGNK-UHFFFAOYSA-N
|
|
| label |
diflunisal
|
|
| mass |
250.19760
|
|
| monoisotopicmass |
250.04415
|
|
| notation |
CHEBI:39669
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|
| prefLabel |
diflunisal
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|
| smiles |
OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
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|
| subClassOf |
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