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CHEBI:174844 - 9'-desmethylgranisetron

ChEBI IDCHEBI:174844
ChEBI Name9'-desmethylgranisetron
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SubmitterMetaboLights
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FormulaC17H22N4O
Net Charge0
Average Mass298.390
Monoisotopic Mass298.17936
SMILES[H][C@]12CCC[C@]([H])(CC(NC(=O)c3nnc4ccccc34)C1)N2C
InChIInChI=1S/C17H22N4O/c1-21-12-5-4-6-13(21)10-11(9-12)18-17(22)16-14-7-2-3-8-15(14)19-20-16/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,20)/t11?,12-,13+
InChIKeyGHVQAOGYNZNTIA-YHWZYXNKSA-N
ChEBI Ontology
Outgoing Relation(s)
9'-desmethylgranisetron (CHEBI:174844) is a aromatic amide (CHEBI:62733)
9'-desmethylgranisetron (CHEBI:174844) is a indazoles (CHEBI:38769)
IUPAC Name 
N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide
Manual XrefsDatabases
9418510ChemSpider