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ChEBI
> Main
CHEBI:53757 - ziprasidone mesylate trihydrate
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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.
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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