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CHEBI:53757 - ziprasidone mesylate trihydrate

Default Structure
ChEBI IDCHEBI:53757
ChEBI Nameziprasidone mesylate trihydrate
Stars
DefinitionThe methanesulfonate trihydrate salt of ziprasidone.
Last Modified7 December 2009
SubmitterSteve
DownloadsMolfile
FormulaC21H21ClN4OS.CH4O3S.3H2O
Net Charge0
Average Mass563.098
Monoisotopic Mass562.13227
SMILESCS(=O)(=O)O.O.O.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
InChIInChI=1S/C21H21ClN4OS.CH4O3S.3H2O/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;1-5(2,3)4;;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H3,(H,2,3,4);3*1H2
InChIKeyWLQZEFFFIUHSJB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ziprasidone mesylate trihydrate (CHEBI:53757) has part ziprasidone (CHEBI:10119)
ziprasidone mesylate trihydrate (CHEBI:53757) is a hydrate (CHEBI:35505)
ziprasidone mesylate trihydrate (CHEBI:53757) is a methanesulfonate salt (CHEBI:38037)
Synonyms  Source
Ziprasidone mesylateKEGG DRUG
Ziprasidone mesylate hydrateKEGG DRUG
Manual XrefsDatabases
D02100KEGG DRUG
DB00246DrugBank
Registry NumbersSources
CAS:199191-69-0KEGG DRUG
CAS:199191-69-0ChemIDplus