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CHEBI:7774 - Ondansetron hydrochloride

ChEBI IDCHEBI:7774
ChEBI NameOndansetron hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC18H19N3O.2H2O.HCl
Net Charge0
Average Mass365.861
Monoisotopic Mass365.15062
SMILESCc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O
InChIInChI=1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2
InChIKeyVRSLTNZJOUZKLX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ondansetron hydrochloride (CHEBI:7774) is a carbazoles (CHEBI:48513)
Synonyms  Source
Ondansetron hydrochlorideKEGG COMPOUND
Zofran (TN)KEGG COMPOUND
Manual XrefsDatabases
D00678KEGG DRUG
Registry NumbersSources
CAS:103639-04-9KEGG COMPOUND