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CHEBI:177494 - Tozadenant

ChEBI IDCHEBI:177494
ChEBI NameTozadenant
Stars
Last Modified7 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26N4O4S
Net Charge0
Average Mass406.508
Monoisotopic Mass406.16748
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12
InChIInChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
InChIKeyXNBRWUQWSKXMPW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Tozadenant (CHEBI:177494) is a benzothiazoles (CHEBI:37947)
IUPAC Name 
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide
Manual XrefsDatabases
9793117ChemSpider
DB12203DrugBank
9XWPDBeChem
D10174KEGG DRUG
Registry NumbersSources
CAS:870070-55-6ChemIDplus