Preferred Name |
diflunisal |
|
Synonyms |
2-(hydroxy)-5-(2,4-difluorophenyl)benzoic acid 5-(2,4-difluorophenyl)salicylic acid Dolobid 2',4'-difluoro-4-hydroxy-3-biphenylcarboxylic acid Diflunisal 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid |
|
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 5-(2,4-difluorophenyl)salicylic acid Dolobid 2',4'-difluoro-4-hydroxy-3-biphenylcarboxylic acid Diflunisal 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid |
|
charge |
0 |
|
database_cross_reference |
CAS:22494-42-4 Reaxys:2654431 PMID:28166217 KEGG:D00130 LINCS:LSM-2490 HMDB:HMDB0014999 PMID:23416065 Wikipedia:Diflunisal PDBeChem:1FL PMID:23144359 KEGG:C01691 DrugBank:DB00861 Drug_Central:880 |
|
definition |
An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position. |
|
formula |
C13H8F2O3 |
|
has characteristic | ||
has exact synonym |
Diflunisal 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid |
|
has functional parent | ||
has role | ||
has_alternative_id |
CHEBI:39656 CHEBI:4538 |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
2-(hydroxy)-5-(2,4-difluorophenyl)benzoic acid 5-(2,4-difluorophenyl)salicylic acid Dolobid 2',4'-difluoro-4-hydroxy-3-biphenylcarboxylic acid |
|
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 |
|
note |
An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position. |
|
preferred label |
diflunisal |
|
prefLabel |
diflunisal |
|
smiles |
OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F |
|
subClassOf |