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Ziprasidone Hydrochloride Monohydrate

CAT: 1299-RM-Z161800-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-Z161800-01Size:10 mg
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CAS Number
138982-67-9
Synonyms
5- (2- (4- (benzo[d]isothiazol-3-yl) piperazin-1-yl) ethyl) -6-chloroindolin-2-one hydrochloride hydrate
Molecular Formula
C21H21ClN4OS*HCl*H2O
Molecular Weight
412.94*36.46*18.02
Target Alternative Name
Ziprasidone
Product Name Synonym
5- (2- (4- (benzo[d]isothiazol-3-yl) piperazin-1-yl) ethyl) -6-chloroindolin-2-one hydrochloride hydrate

Chemical Information

Ziprasidone hydrochloride monohydrate

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CAS Number138982-67-9
PubChem CID60853
IUPAC Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
Molecular FormulaC21H24Cl2N4O2S
Molecular Weight467.4
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity573
SMILES
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl
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
Chemical Structure
2D Structure
2D structure of Ziprasidone hydrochloride monohydrate
CAS: 138982-67-9
CID: 60853
Formula: C21H24Cl2N4O2S
MW: 467.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass466.0997026
Monoisotopic Mass466.0997026
Topological Polar Surface Area77.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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