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Ziprasidone open ring impurity

CAT: 1459-CS-O-05612Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-05612Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ziprasidone open ring impurity 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-O-05612. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Impurity in commercial preparations of Ziprasidone
CAS Number
1159977-64-6
Synonyms
Ziprasidone open ring impurity
Molecular Formula
C 21 H 23 ClN 4 O 2 S
Molecular Weight
431
Additionnal Information
Ziprasidone open ring impurity is supplied with detailed characterization data compliant with regulatory guideline. Ziprasidone open ring impurity 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
Impurity in commercial preparations of Ziprasidone
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

1,2-Seco-ziprasidone
CAS Number1159977-64-6
PubChem CID46783272
IUPAC Name2-[2-amino-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-chlorophenyl]acetic acid
Molecular FormulaC21H23ClN4O2S
Molecular Weight431.0
XLogP1.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity563
SMILES
C1CN(CCN1CCC2=CC(=C(C=C2Cl)N)CC(=O)O)C3=NSC4=CC=CC=C43
InChI
InChI=1S/C21H23ClN4O2S/c22-17-13-18(23)15(12-20(27)28)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)29-24-21/h1-4,11,13H,5-10,12,23H2,(H,27,28)
InChIKey
VMQKWKNTSXIWGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Seco-ziprasidone
CAS: 1159977-64-6
CID: 46783272
Formula: C21H23ClN4O2S
MW: 431.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.0
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass430.1230249
Monoisotopic Mass430.1230249
Topological Polar Surface Area111 Ų
Heavy Atom Count29
Formal Charge0
Complexity563
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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