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CHEBI:228690 - 2-[(3S)-1-(2-Pyridinylmethyl)-3-pyrrolidinyl]-1,3-benzothiazole

ChEBI IDCHEBI:228690
ChEBI Name2-[(3S)-1-(2-Pyridinylmethyl)-3-pyrrolidinyl]-1,3-benzothiazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17N3S
Net Charge0
Average Mass295.411
Monoisotopic Mass295.11432
SMILES[H][C@]1(c2nc3ccccc3s2)CCN(Cc2ccccn2)C1
InChIInChI=1S/C17H17N3S/c1-2-7-16-15(6-1)19-17(21-16)13-8-10-20(11-13)12-14-5-3-4-9-18-14/h1-7,9,13H,8,10-12H2/t13-/m0/s1
InChIKeyMFJWGYFVAFNPDF-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-1-(2-Pyridinylmethyl)-3-pyrrolidinyl]-1,3-benzothiazole (CHEBI:228690) is a benzothiazoles (CHEBI:37947)
IUPAC Name 
2-[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3-benzothiazole
Manual XrefsDatabases
29849986ChemSpider