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Sulfamethoxazole-13C6

CAT: 1459-CS-O-00762Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-00762Size:1 Each
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Description
Sulfamethoxazole-13C6 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Sulfamethoxazole. The product is supplied by Clearsynth under CAT No. CS-O-00762. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
"Labeled Sulfamethoxazole, intended for use as an internal standard for the quantification of Sulfamethoxazole by GC- or LC-mass spectrometry."
CAS Number
1196157-90-0
Synonyms
Sulfamethoxazole-13C6
Molecular Formula
C 413 C 6 H 11 N 3 O 3 S
Molecular Weight
259.23
Additionnal Information
Sulfamethoxazole-13C6 is supplied with detailed characterization data compliant with regulatory guideline. Sulfamethoxazole-13C6 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 Sulfamethoxazole.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"Labeled Sulfamethoxazole, intended for use as an internal standard for the quantification of Sulfamethoxazole by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Sulfamethoxazole-(phenyl-13C6)
CAS Number1196157-90-0
PubChem CID71312389
IUPAC Name4-amino-N-(5-methyl-1,2-oxazol-3-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
Molecular FormulaC10H11N3O3S
Molecular Weight259.24
XLogP0.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity346
SMILES
CC1=CC(=NO1)NS(=O)(=O)[13C]2=[13CH][13CH]=[13C]([13CH]=[13CH]2)N
InChI
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)/i2+1,3+1,4+1,5+1,8+1,9+1
InChIKey
JLKIGFTWXXRPMT-AHBHZWPESA-N
Chemical Structure
2D Structure
2D structure of Sulfamethoxazole-(phenyl-13C6)
CAS: 1196157-90-0
CID: 71312389
Formula: C10H11N3O3S
MW: 259.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight259.24
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass259.07224141
Monoisotopic Mass259.07224141
Topological Polar Surface Area107 Ų
Heavy Atom Count17
Formal Charge0
Complexity346
Isotope Atom Count6
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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