CHEBI:177731 - Sabeluzole

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sabeluzole
ChEBI ID CHEBI:177731
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26FN3O2S
Net Charge 0
Average Mass 415.530
Monoisotopic Mass 415.17298
InChI InChI=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
InChIKey IGMKTIJBFUMVIN-UHFFFAOYSA-N
SMILES S1C(N(C2CCN(CC2)CC(O)COC3=CC=C(F)C=C3)C)=NC=4C1=CC=CC4
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
53964 ChemSpider
D05780 KEGG DRUG
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Registry Number Type Source
104383-17-7 CAS Registry Number ChemIDplus