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Ziprasidone Sulfone

CAT: 1596-AR-Z01351-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01351-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
188797-77-5
Synonyms
6-Chloro-5- (2- (4- (1,1-dioxidobenzo[d]isothiazol-3-yl) piperazin-1-yl) ethyl) indolin-2-one
Molecular Formula
C21H21ClN4O3S
Molecular Weight
444.93
API Name
Ziprasidone

Chemical Information

Ziprasidone Sulfone
CAS Number188797-77-5
PubChem CID9889695
IUPAC Name6-chloro-5-[2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
Molecular FormulaC21H21ClN4O3S
Molecular Weight444.9
XLogP1.9
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity806
SMILES
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NS(=O)(=O)C5=CC=CC=C54
InChI
InChI=1S/C21H21ClN4O3S/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)30(28,29)24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
InChIKey
ZVNYBRYFGRKHFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ziprasidone Sulfone
CAS: 188797-77-5
CID: 9889695
Formula: C21H21ClN4O3S
MW: 444.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.9
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass444.1022894
Monoisotopic Mass444.1022894
Topological Polar Surface Area90.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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CS-O-10046Ziprasidone Sulfone
sc-474017Ziprasidone Sulfone Hydrochloride
022970Ziprasidone Sulfone Hydrochloride discontinued
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RM-Z161801-01Ziprasidone EP Impurity A; Ziprasidone USP Rc A
sc-2165333-Oxo Ziprasidone (Ziprasidone Impurity B)

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