1,7-Dimethylxanthine D6

Product Name 1,7-Dimethylxanthine D6
CAT No. CS-O-16235
CAS No. 117490-41-2
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys O=C(N1C([2H])([2H])[2H])C(N2C([2H])([2H])[2H])=C(N=C2)NC1=O
Canonical Smiles CN1C=NC2=C1C(=O)N(C(=O)N2)C
InchIKey QUNWUDVFRNGTCO-WFGJKAKNSA-N
Inchl InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i1D3,2D3
IUPAC 1,7-bis(trideuteriomethyl)-3H-purine-2,6-dione
Controlled No
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1,7-Dimethylxanthine D6 is a stable isotopic labeled form of caffeine with six deuterium atoms. It is a white crystalline powder and is a member of the xanthine family. It is commonly used in research studies as an internal standard for the quantification of caffeine levels in blood, plasma, and urine samples. This compound is used as a reference standard in analytical chemistry and pharmacology studies to measure caffeine metabolism and pharmacokinetics in human and animal models. Caffeine, the parent molecule of 1,7-Dimethylxanthine D6, is the most widely consumed psychoactive drug in the world. It is a central nervous system stimulant that is found in coffee, tea, energy drinks, and many other beverages and foods. Caffeine stimulates the brain and can improve mental alertness, concentration, and mood. It is also used to treat some medical conditions like migraine headaches and narcolepsy. The chemical formula of 1,7-Dimethylxanthine D6 is C8H10D6N4O2, and its molecular weight is 194.25 g/mol. It has a melting point of 236-238°C and a boiling point of 480.6°C. This compound is soluble in water, ethanol, and methanol. Its structure is similar to caffeine, with the addition of six deuterium atoms, which makes it an ideal internal standard for caffeine analysis. In conclusion, 1,7-Dimethylxanthine D6 is an essential tool for researchers studying caffeine metabolism and pharmacokinetics. It is a stable isotope-labeled form of caffeine that is used as an internal standard in analytical chemistry and pharmacology studies. Its chemical properties and structure make it a reliable reference standard for caffeine analysis in human and animal models.

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