CAS 188297-90-7

Paraxanthine-1-methyl-D3

Description:

Paraxanthine-1-methyl-D3, with the CAS number 188297-90-7, is a stable isotopic form of paraxanthine, a metabolite of caffeine. It is characterized by the presence of deuterium, which is a stable isotope of hydrogen, at specific positions in its molecular structure. This compound is primarily used in research settings, particularly in studies involving caffeine metabolism and pharmacokinetics. Paraxanthine itself is known for its stimulant properties, similar to caffeine, and is involved in various physiological processes, including the modulation of lipid metabolism and the enhancement of athletic performance. The incorporation of deuterium in its structure allows for advanced analytical techniques, such as mass spectrometry, to trace metabolic pathways and interactions in biological systems. Overall, Paraxanthine-1-methyl-D3 serves as a valuable tool in biochemical research, providing insights into the effects of methylxanthines on human health and metabolism.

Formula: C₇H₅D₃N₄O₂

InChI: InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i2D3

SMILES: Cn1cnc2c1c(=O)n(C([2H])([2H])[2H])c(n2)O

Synonyms:

• 1,7-Dimethylxanthine-d3
• 3,7-Dihydro-1-(methyl-d3)-7-methyl-1H-purine-2,6-dione
• 3,7-Dihydro-1-methyl-7-(methyl-D3)-1H-purine-2,6-dione)

Paraxanthine-1-methyl-d3

Controlled Product

CAS: 188297-90-7

Applications An adenosine receptor ligand and a major metabolite of caffeine.
References Proc. Natl. Acad. Sci. USA 78, 3260 (1981); Cell Mol. Neurobiol., 3, 69 (1983); Eur. J. Pharmacol., 179, 295 (1990)

Formula: C₇₂H₃H₅N₄O₂

Color and Shape: Yellow

Molecular weight: 183.18

Ref: TR-P192502

1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-1-(methyl-d3)- (9CI)

CAS: 188297-90-7

Formula: C₇H₅D₃N₄O₂

Color and Shape: Solid

Molecular weight: 183.1825

Ref: IN-DA002GSS