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Zotepine S-Oxide

CAT: 1459-CS-T-87838Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-87838Size:1 Each
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Description
Zotepine S-Oxide is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Zotepine. The product is supplied by Clearsynth under CAT No. CS-T-87838. 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
78105-23-4
Synonyms
Zotepine S-Oxide
Molecular Formula
C 18 H 18 ClNO 2 S
Molecular Weight
347.9
Additionnal Information
Zotepine S-Oxide is supplied with detailed characterization data compliant with regulatory guideline. Zotepine S-Oxide 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 Zotepine.
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

Zotepine S-oxide
CAS Number78105-23-4
PubChem CID12882299
IUPAC Name2-(3-chloro-11-oxobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine
Molecular FormulaC18H18ClNO2S
Molecular Weight347.9
XLogP3.6
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity420
SMILES
CN(C)CCOC1=CC2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H18ClNO2S/c1-20(2)9-10-22-16-11-13-5-3-4-6-17(13)23(21)18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
InChIKey
GPQLECKPRFIPAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zotepine S-oxide
CAS: 78105-23-4
CID: 12882299
Formula: C18H18ClNO2S
MW: 347.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.9
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass347.0746777
Monoisotopic Mass347.0746777
Topological Polar Surface Area57.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity420
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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Alternative Products

CatalogName
TRC-Z700910-50MGZotepine S-Oxide
469254Zotepine S-Oxide-d6
469249-01Zotepine N-Oxide
469250Zotepine N-Oxide-d6
TRC-Z700915-100MGZotepine N,S-Dioxide
469251-01Zotepine N, S-Dioxide
469252Zotepine N, S-Dioxide-d6
B7563-25Zotepine

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