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Ziprasidone Impurity 3

CAT: 1459-CS-T-05055Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-05055Size:1 Each
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Description
Ziprasidone Impurity 3 is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Ziprasidone. The product is supplied by Clearsynth under CAT No. CS-T-05055. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
160384-40-7
Synonyms
Ziprasidone Impurity 3
Molecular Formula
C 21 H 21 ClN 4 O 4 S
Molecular Weight
460.9
Additionnal Information
Ziprasidone Impurity 3 is supplied with detailed characterization data compliant with regulatory guideline. Ziprasidone Impurity 3 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Ziprasidone.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneacetic Acid
CAS Number160384-40-7
PubChem CID10695301
IUPAC Name2-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-chloro-2-nitrophenyl]acetic acid
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.9
XLogP2.2
Topological Polar Surface Area131
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity645
SMILES
C1CN(CCN1CCC2=CC(=C(C=C2Cl)[N+](=O)[O-])CC(=O)O)C3=NSC4=CC=CC=C43
InChI
InChI=1S/C21H21ClN4O4S/c22-17-13-18(26(29)30)15(12-20(27)28)11-14(17)5-6-24-7-9-25(10-8-24)21-16-3-1-2-4-19(16)31-23-21/h1-4,11,13H,5-10,12H2,(H,27,28)
InChIKey
CVBLECFRGBVIFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneacetic Acid
CAS: 160384-40-7
CID: 10695301
Formula: C21H21ClN4O4S
MW: 460.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.9
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass460.0972040
Monoisotopic Mass460.0972040
Topological Polar Surface Area131 Ų
Heavy Atom Count31
Formal Charge0
Complexity645
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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