CHEBI:53757 - ziprasidone mesylate trihydrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ziprasidone mesylate trihydrate
ChEBI ID CHEBI:53757
Definition The methanesulfonate trihydrate salt of ziprasidone.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H31ClN4O7S2
Net Charge 0
Average Mass 563.08700
Monoisotopic Mass 562.13227
InChI InChI=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
InChIKey WLQZEFFFIUHSJB-UHFFFAOYSA-N
SMILES O.O.O.CS(O)(=O)=O.Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
ChEBI Ontology
Outgoing 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 Sources
Ziprasidone mesylate KEGG DRUG
Ziprasidone mesylate hydrate KEGG DRUG
Manual Xrefs Databases
D02100 KEGG DRUG
DB00246 DrugBank
View more database links
Registry Numbers Types Sources
199191-69-0 CAS Registry Number ChemIDplus
199191-69-0 CAS Registry Number KEGG DRUG
Last Modified
07 December 2009