1-Methyl Xanthine-d3
Product Code
TRC-M338577
CAS Number
Product Format
Neat
Molecular Formula
C6 2H3 H3 N4 O2
Molecular Weight
169.16
API Family
XanthineProduct Categories
TRC, Metabolites & bioactive compounds, Metabolites & bioactive compounds, Impurity Reference Materials , Stable isotopes, Stable Isotope Labelled Analytical Standards
Unlabelled CAS Number
Documentation
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Product Information
Product Data
Analyte Name
1-Methylxanthine-d3
CAS Number
1216430-61-3
Molecular Formula
C6 2H3 H3 N4 O2
Molecular Weight
169.16
Accurate Mass
169.0679
SMILES
[2H]C([2H])([2H])N1C(=O)Nc2[nH]cnc2C1=O
InChI
InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i1D3
IUPAC
1-(trideuteriomethyl)-3,9-dihydropurine-2,6-dione
Unlabelled CAS Number
6136-37-4
SIL Type
Deuterium
Storage & Transport Information
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Description
A labelled metabolite of Theophylline.
References: ottrup, A., et al.: Pharmacol. Toxicol., 67, 340
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