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Ziprasidone hydrochloride monohydrate

CAT: 0957-E4840-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E4840-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138982-67-9
Target
5-HT Receptor
Applications
Neuronal Signaling
Molecular Formula
C21H21ClN4OS.ClH.H2O
Additionnal Information
Ziprasidone hydrochloride monohydrate is an antipsychotic drug, a combined antagonist of 5-HT (serotonin) and dopamine receptor. It exhibits binding affinities for D2, 5-HT2A, 5-HT1A with Ki values 4.8 nM, 0.42 nM, 3.4 nM respectively.

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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Alternative Products

CatalogName
A3953-5.1Ziprasidone hydrochloride monohydrate
HY-17407-01Ziprasidone (hydrochloride monohydrate)
HY-17407R-01Ziprasidone (hydrochloride monohydrate) (Standard)
A11008-5Ziprasidone hydrochloride monohydrate 5mg
A11008-100Ziprasidone hydrochloride monohydrate 100mg
A11008-50Ziprasidone hydrochloride monohydrate 50mg
A11008-25Ziprasidone hydrochloride monohydrate 25mg
A11008-10Ziprasidone hydrochloride monohydrate 10mg

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