N-Acetyl Mesalazine-d3
Product Code
TRC-A168322
CAS Number
Product Format
Neat
Molecular Formula
C9 2H3 H6 N O4
Molecular Weight
198.19
Product Categories
TRC, Drug derivatives & metabolites, Stable isotopes, Stable Isotope Labelled Analytical Standards
Unlabelled CAS Number
Drug Type
NSAIDs
Documentation
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Product Information
Chemical Data
Analyte Name
N-Acetyl Mesalazine methyl-d3
CAS Number
93968-79-7
Molecular Formula
C9 2H3 H6 N O4
Molecular Weight
198.19
Accurate Mass
198.072
SMILES
[2H]C([2H])([2H])C(=O)Nc1ccc(O)c(c1)C(=O)O
InChI
InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)/i1D3
IUPAC
2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid
Unlabelled CAS Number
51-59-2
SIL Type
Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat
API Family
Product Description
A labelled metabolite of Mesalazine. A labelled Salicylic Acid derivative. Inhibitor of recombinant human thiopurine methyltransferase (hTPMT).
References: Bondesen, S., et al.: Br. J. Clin. Pharmacol., 25, 269 (1988),