Product Code
TRC-T343802
CAS Number
Product Format
Neat
Molecular Formula
C7 2H6 H2 N4 O2
Molecular Weight
186.20
API Family
TheobromineProduct Categories
Stable Isotope Labelled Analytical Standards, TRC, Metabolites & bioactive compounds, Stable isotopes, Cardiac drugs and beta blockers
Unlabelled CAS Number
Purity
>95% (HPLC)
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Analyte Name
Theobromine-d6
CAS Number
117490-40-1
Molecular Formula
C7 2H6 H2 N4 O2
Molecular Weight
186.20
Accurate Mass
186.1024
SMILES
[2H]C([2H])([2H])N1C(=O)NC(=O)c2c1ncn2C([2H])([2H])[2H]
InChI
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1D3,2D3
IUPAC
3,7-bis(trideuteriomethyl)purine-2,6-dione
Unlabelled CAS Number
83-67-0
SIL Type
Deuterium
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat
API Family
Purity
>95% (HPLC)
A labelled metabolite of Caffeine.
References: Suto, M., et al.: Anticancer Drug Des., 6, 107 (1991), Burkart, V., et al.: Nat. Med., 5, 314 (1999), Hassa, P., et al.: J. Biol. Chem., 278, 45145 2003), Veres, B., et al.: J. Pharmacol. Exp. Ther., 310, 247(2004),
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