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CHEBI:169632 - 2-Chloroticlopidine

Default Structure
ChEBI IDCHEBI:169632
ChEBI Name2-Chloroticlopidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H13Cl2NS
Net Charge0
Average Mass298.238
Monoisotopic Mass297.01458
SMILESClc1cc2c(s1)CCN(Cc1ccccc1Cl)C2
InChIInChI=1S/C14H13Cl2NS/c15-12-4-2-1-3-10(12)8-17-6-5-13-11(9-17)7-14(16)18-13/h1-4,7H,5-6,8-9H2
InChIKeyINYHLAYOOFHUNE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-Chloroticlopidine (CHEBI:169632) is a thienopyridine (CHEBI:37942)
IUPAC Name 
2-chloro-5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Manual XrefsDatabases
30776725ChemSpider
HMDB0013922HMDB