CHEBI:140079 - itasetron

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ChEBI Name itasetron
ChEBI ID CHEBI:140079
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H20N4O2
Net Charge 0
Average Mass 300.356
Monoisotopic Mass 300.15863
InChI InChI=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-
InChIKey RWXRJSRJIITQAK-ZSBIGDGJSA-N
SMILES C12=CC=CC=C1NC(N2C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing itasetron (CHEBI:140079) is a tropane alkaloid (CHEBI:37332)
Manual Xref Database
16736654 ChemSpider
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Last Modified
12 February 2018