loading...| Preferred Name |
sulindac |
|
| Synonyms |
Sulindac {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid sulindaco Sulindacum cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic acid sulindac (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid Clinoril |
|
| Definitions |
A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9352 |
|
| charge |
0 |
|
| database_cross_reference |
SNOMEDCT:387513000 SNOMEDCT:89505005 MeSH:D013467 NCIt:C850 PMID:23804703 HMDB:HMDB0014743 PDBeChem:SUZ PMID:12406542 Drug_Central:2534 Wikipedia:Sulindac PMID:11927004 PMID:11569947 KEGG:D00120 Reaxys:2951842 PMID:15020200 KEGG:C01531 DrugBank:DB00605 PMID:23689354 PMID:15123337 PMID:19884509 Beilstein:2951842 CAS:38194-50-2 Patent:US3654349 Patent:DE2039426 |
|
| definition |
A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions. |
|
| formula |
C20H17FO3S |
|
| has_exact_synonym |
Sulindac {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid sulindaco Sulindacum cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic acid sulindac (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid Clinoril |
|
| id |
CHEBI:9352 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9- |
|
| inchikey |
MLKXDPUZXIRXEP-MFOYZWKCSA-N |
|
| label |
sulindac |
|
| mass |
356.41158 |
|
| monoisotopicmass |
356.08824 |
|
| notation |
CHEBI:9352 |
|
| prefLabel |
sulindac |
|
| smiles |
CC1=C(CC(O)=O)c2cc(F)ccc2C\1=C/c1ccc(cc1)S(C)=O |
|
| subClassOf |