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CHEBI:230391 - Tetomilast

Default Structure
ChEBI IDCHEBI:230391
ChEBI NameTetomilast
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18N2O4S
Net Charge0
Average Mass370.430
Monoisotopic Mass370.09873
SMILESCCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OCC
InChIInChI=1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)
InChIKeyXDBHURGONHZNJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Tetomilast (CHEBI:230391) is a aromatic carboxylic acid (CHEBI:33859)
Tetomilast (CHEBI:230391) is a pyridines (CHEBI:26421)
IUPAC Name 
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
Manual XrefsDatabases
2291461ChemSpider
DB05298DrugBank
HMDB0258864HMDB