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Metopimazine Sulfoxide

CAT: 1459-CS-T-35569Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-35569Size:1 Each
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Description
Metopimazine Sulfoxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Metopimazine. The product is supplied by Clearsynth under CAT No. CS-T-35569. 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
18181-99-2
Synonyms
Metopimazine Sulfoxide
Molecular Formula
C 22 H 27 N 3 O 4 S 2
Molecular Weight
461.60
Additionnal Information
Metopimazine Sulfoxide is supplied with detailed characterization data compliant with regulatory guideline. Metopimazine Sulfoxide 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 Metopimazine.
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 accurate information.

Chemical Information

Metopimazine Sulfoxide
CAS Number18181-99-2
PubChem CID125335632
IUPAC Name1-[3-(2-methylsulfonyl-5-oxophenothiazin-10-yl)propyl]piperidine-4-carboxamide
Molecular FormulaC22H27N3O4S2
Molecular Weight461.6
XLogP1.8
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity776
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN4CCC(CC4)C(=O)N
InChI
InChI=1S/C22H27N3O4S2/c1-31(28,29)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)30(21)27)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
InChIKey
LYAXSKWQPPYTPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metopimazine Sulfoxide
CAS: 18181-99-2
CID: 125335632
Formula: C22H27N3O4S2
MW: 461.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.6
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass461.14429870
Monoisotopic Mass461.14429870
Topological Polar Surface Area139 Ų
Heavy Atom Count31
Formal Charge0
Complexity776
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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