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Ziprasidone Impurity 9

CAT: 1299-RM-Z161809-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-Z161809-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
884305-08-2
Synonyms
5- (2- (4- (benzo[d]isothiazol-3-yl) piperazin-1-yl) -1-hydroxyethyl) -6-chloroindolin-2-one
Molecular Formula
C21H21ClN4O2S
Molecular Weight
428.94
Target Alternative Name
Ziprasidone
Product Name Synonym
5- (2- (4- (benzo[d]isothiazol-3-yl) piperazin-1-yl) -1-hydroxyethyl) -6-chloroindolin-2-one

Chemical Information

Hydroxy Ziprasidone
CAS Number884305-08-2
PubChem CID11597135
IUPAC Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-hydroxyethyl]-6-chloro-1,3-dihydroindol-2-one
Molecular FormulaC21H21ClN4O2S
Molecular Weight428.9
XLogP2.9
Topological Polar Surface Area96.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity605
SMILES
C1CN(CCN1CC(C2=C(C=C3C(=C2)CC(=O)N3)Cl)O)C4=NSC5=CC=CC=C54
InChI
InChI=1S/C21H21ClN4O2S/c22-16-11-17-13(10-20(28)23-17)9-15(16)18(27)12-25-5-7-26(8-6-25)21-14-3-1-2-4-19(14)29-24-21/h1-4,9,11,18,27H,5-8,10,12H2,(H,23,28)
InChIKey
IYNREZQRIITXHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy Ziprasidone
CAS: 884305-08-2
CID: 11597135
Formula: C21H21ClN4O2S
MW: 428.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.9
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass428.1073748
Monoisotopic Mass428.1073748
Topological Polar Surface Area96.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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