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CHEBI:140079 - itasetron

ChEBI IDCHEBI:140079
ChEBI Nameitasetron
Stars
Last Modified12 February 2018
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DownloadsMolfile
FormulaC16H20N4O2
Net Charge0
Average Mass300.362
Monoisotopic Mass300.15863
SMILESCN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)n1c(=O)nc3ccccc31)C2
InChIInChI=1S/C16H20N4O2/c1-19-11-6-7-12(19)9-10(8-11)17-15(21)20-14-5-3-2-4-13(14)18-16(20)22/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,22)/t10-,11+,12-
InChIKeyRWXRJSRJIITQAK-ZSBIGDGJSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
itasetron (CHEBI:140079) is a tropane alkaloid (CHEBI:37332)
Manual XrefsDatabases
16736654ChemSpider