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> Main
CHEBI:32314 - ziprasidone hydrochloride hydrate
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ChEBI Name
ziprasidone hydrochloride hydrate
ChEBI ID
CHEBI:32314
Definition
The hydrochloride hydrate salt of ziprasidone.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formulae
C21H21ClN4OS.H2O.HCl
C21H24Cl2N4O2S
Net Charge
0
Average Mass
467.41200
Monoisotopic Mass
466.09970
InChI
InChI=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
InChIKey
ZCBZSCBNOOIHFP-UHFFFAOYSA-N
SMILES
[H+].O.[Cl-].Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
ChEBI Ontology
Outgoing
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-
2
H
-
indol-
2-
one hydrochloride hydrate
Synonym
Source
Ziprasidone hydrochloride monohydrate
ChemIDplus
Brand Name
Source
Geodon
DrugBank
Manual Xrefs
Databases
D01939
KEGG DRUG
DB00246
DrugBank
View more database links
Registry Numbers
Types
Sources
138982-67-9
CAS Registry Number
KEGG DRUG
138982-67-9
CAS Registry Number
ChemIDplus
Last Modified
08 July 2010