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CHEBI:185074 - 2-Oxoticlopidine

ChEBI IDCHEBI:185074
ChEBI Name2-Oxoticlopidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14ClNOS
Net Charge0
Average Mass279.792
Monoisotopic Mass279.04846
SMILESO=C1C=C2CN(Cc3ccccc3Cl)CCC2S1
InChIInChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)8-16-6-5-13-11(9-16)7-14(17)18-13/h1-4,7,13H,5-6,8-9H2
InChIKeyDJZQIXWGIZIETJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2-Oxoticlopidine (CHEBI:185074) is a piperidines (CHEBI:26151)
IUPAC Name 
5-[(2-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
Manual XrefsDatabases
118335ChemSpider
HMDB0013923HMDB
Registry NumbersSources
CAS:83427-51-4ChemIDplus