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CHEBI:85163 - palonosetron(1+)

ChEBI IDCHEBI:85163
ChEBI Namepalonosetron(1+)
Stars
DefinitionAn organic cation obtained by protonation of the endocyclic tertiary amino group of palonosetron.
Last Modified10 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC19H25N2O
Net Charge+1
Average Mass297.422
Monoisotopic Mass297.19614
SMILES[H][C@]12CCCc3cccc(c31)C(=O)N([C@@H]1C[NH+]3CCC1CC3)C2
InChIInChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/p+1/t15-,17-/m1/s1
InChIKeyCPZBLNMUGSZIPR-NVXWUHKLSA-O
ChEBI Ontology
Outgoing Relation(s)
palonosetron(1+) (CHEBI:85163) is a ammonium ion derivative (CHEBI:35274)
palonosetron(1+) (CHEBI:85163) is a organic cation (CHEBI:25697)
palonosetron(1+) (CHEBI:85163) is conjugate acid of palonosetron (CHEBI:85161)
Incoming Relation(s)
palonosetron hydrochloride (CHEBI:85157) has part palonosetron(1+) (CHEBI:85163)
palonosetron (CHEBI:85161) is conjugate base of palonosetron(1+) (CHEBI:85163)
IUPAC Name 
(3S)-3-[(3aS)-1-oxo-3a,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-2(3H)-yl]-1-azabicyclo[2.2.2]octan-1-ium
Synonym  Source
palonosetron cationChEBI