EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:32314 - ziprasidone hydrochloride hydrate

ChEBI IDCHEBI:32314
ChEBI Nameziprasidone hydrochloride hydrate
Stars
DefinitionThe hydrochloride hydrate salt of ziprasidone.
Last Modified8 July 2010
DownloadsMolfile
FormulaH.C21H21ClN4OS.Cl.H2O
Net Charge0
Average Mass467.422
Monoisotopic Mass466.09970
SMILESO.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1.[Cl-].[H+]
InChIInChI=1S/C21H21ClN4OS.ClH.H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H;1H2
InChIKeyZCBZSCBNOOIHFP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ziprasidone hydrochloride hydrate (CHEBI:32314) has part ziprasidone (CHEBI:10119)
ziprasidone hydrochloride hydrate (CHEBI:32314) is a hydrate (CHEBI:35505)
ziprasidone hydrochloride hydrate (CHEBI:32314) is a hydrochloride (CHEBI:36807)
IUPAC Name 
5-{2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one hydrochloride hydrate
Synonym  Source
Ziprasidone hydrochloride monohydrateChemIDplus
Brand Name  Source
GeodonDrugBank
Manual XrefsDatabases
D01939KEGG DRUG
DB00246DrugBank
Registry NumbersSources
CAS:138982-67-9ChemIDplus
CAS:138982-67-9KEGG DRUG