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CHEBI:177731 - Sabeluzole

ChEBI IDCHEBI:177731
ChEBI NameSabeluzole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26FN3O2S
Net Charge0
Average Mass415.534
Monoisotopic Mass415.17298
SMILESCN(c1nc2ccccc2s1)C1CCN(CC(O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O2S/c1-25(22-24-20-4-2-3-5-21(20)29-22)17-10-12-26(13-11-17)14-18(27)15-28-19-8-6-16(23)7-9-19/h2-9,17-18,27H,10-15H2,1H3
InChIKeyIGMKTIJBFUMVIN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Sabeluzole (CHEBI:177731) is a benzothiazoles (CHEBI:37947)
IUPAC Name 
1-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-3-(4-luorophenoxy)propan-2-ol
Manual XrefsDatabases
53964ChemSpider
D05780KEGG DRUG
Registry NumbersSources
CAS:104383-17-7ChemIDplus