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CHEBI:177771 - Tedatioxetine

ChEBI IDCHEBI:177771
ChEBI NameTedatioxetine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21NS
Net Charge0
Average Mass283.440
Monoisotopic Mass283.13947
SMILESCc1ccc(Sc2ccccc2C2CCNCC2)cc1
InChIInChI=1S/C18H21NS/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15/h2-9,15,19H,10-13H2,1H3
InChIKeyCVASBKDYSQKLSO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Tedatioxetine (CHEBI:177771) is a piperidines (CHEBI:26151)
IUPAC Name 
4-[2-(4-methylphenyl)sulanylphenyl]piperidine
Manual XrefsDatabases
DB12641DrugBank
D10170KEGG DRUG
8054590ChemSpider
Registry NumbersSources
CAS:508233-95-2ChemIDplus