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Torsemide Related Compound E

CAT: 1459-CS-T-58529Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-58529Size:1 Each
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Description
Torsemide Related Compound E is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Torasemide. The product is supplied by Clearsynth under CAT No. CS-T-58529. 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 preparation of Torsemide.
CAS Number
72810-61-8
Synonyms
Torsemide Related Compound E
Molecular Formula
C 13 H 11 N 3 O 3 S
Molecular Weight
289.31
Additionnal Information
Torsemide Related Compound E is supplied with detailed characterization data compliant with regulatory guideline. Torsemide Related Compound E 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 Torasemide.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Impurity in commercial preparation of Torsemide.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

4-m-Tolyl-2H-pyrido(4,3-E)(1,2,4)thiadiazin-3(4H)-one 1,1-dioxide
CAS Number72810-61-8
PubChem CID29984242
IUPAC Name4-(3-methylphenyl)-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-3-one
Molecular FormulaC13H11N3O3S
Molecular Weight289.31
XLogP1.2
Topological Polar Surface Area87.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity488
SMILES
CC1=CC(=CC=C1)N2C3=C(C=NC=C3)S(=O)(=O)NC2=O
InChI
InChI=1S/C13H11N3O3S/c1-9-3-2-4-10(7-9)16-11-5-6-14-8-12(11)20(18,19)15-13(16)17/h2-8H,1H3,(H,15,17)
InChIKey
QMCVPDNHQUBJPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-m-Tolyl-2H-pyrido(4,3-E)(1,2,4)thiadiazin-3(4H)-one 1,1-dioxide
CAS: 72810-61-8
CID: 29984242
Formula: C13H11N3O3S
MW: 289.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.31
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass289.05211239
Monoisotopic Mass289.05211239
Topological Polar Surface Area87.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity488
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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