CAS 72238-85-8

1,3,7-tris(trideuteriomethyl)purine-2,6-dione

Description:

1,3,7-Tris(trideuteriomethyl)purine-2,6-dione, with the CAS number 72238-85-8, is a deuterated derivative of purine, a fundamental structure in biochemistry. This compound features three trideuteriomethyl groups (-CD3) attached to the purine ring at the 1, 3, and 7 positions, which enhances its stability and alters its physical properties compared to its non-deuterated counterparts. The presence of deuterium, a stable isotope of hydrogen, can influence the compound's reactivity, solubility, and spectroscopic characteristics, making it useful in various analytical techniques, including NMR spectroscopy. The purine core itself is characterized by a fused double-ring structure containing nitrogen atoms, which is essential in biological systems as it forms the basis of nucleotides, the building blocks of DNA and RNA. This compound may be utilized in research settings, particularly in studies involving metabolic pathways or in the development of pharmaceuticals, where isotopic labeling can provide insights into molecular behavior and interactions.

Formula: C₈HD₉N₄O₂

InChI: InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1D3,2D3,3D3

SMILES: C(n1cnc2c1c(=O)n(C([2H])([2H])[2H])c(=O)n2C([2H])([2H])[2H])([2H])([2H])[2H]

Synonyms:

• 1,3,7-Tris[(2
• 1H-purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-d3
• Caffeine-d9
• Caffeine (1,3,7-Trimethyl-D9)
• 3,7-Dihydro-1,3,7-trimethyl-d9-1H-purine-2,6-dione
• Oxopurine-d9
• Coffeine-d9
• CAFFEINE-D9 (1,3,7-TRIMETHYL-D9)
• Coffeine-d

Caffeine-d9 (Pentoxifylline EP Impurity F-d9, Theophylline EP Impurity A-d9, Theophylline-Ethylenediamine EP Impurity A-d9)

CAS: 72238-85-8

Formula: C₈HD₉N₄O₂

Color and Shape: White To Off-White Solid

Molecular weight: 203.25

Ref: 4Z-C-183

Caffeine-d9 (1,3,7-trimethyl-d9)

CAS: 72238-85-8

Purity: 99 atom % D

Color and Shape: White Solid

Molecular weight: 203.25

Ref: 3U-D5972

Caffeine D9 (trimethyl D9) 100 µg/mL in Acetonitrile

Controlled Product

CAS: 72238-85-8

Formula: C₈H₉HN₄O₂

Color and Shape: Single Solution

Molecular weight: 203.25

Ref: 04-A11693040AL-100

Caffeine-d9

Controlled Product

CAS: 72238-85-8

Applications Lablled Caffeine (C080100). Caffeine is a bitter, white crystalline xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor. Caffeine is found in varying quantities in the seeds, leaves, and fruit of some plants, where it acts as a natural pesticide that paralyzes and kills certain insects feeding on the plants. In humans, caffeine acts as a central nervous system stimulant, temporarily warding off drowsiness and restoring alertness. Caffeine is a cardiac and respiratory stimulant; diuretic. Caffeine is toxic at sufficiently high doses.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Zubair, U.M., et al.: Anal. Profiles Drug Subs., 15, 71 (1986); Cherrah, Y., et al.: Biochem. Pharmacol., 37, 1311 (1988);

Formula: C₈₂H₉HN₄O₂

Color and Shape: White

Molecular weight: 203.25

Ref: TR-C080102

Caffeine-d9

Controlled Product

CAS: 72238-85-8

Caffeine-d9 is a water-soluble compound that belongs to the group of xanthine alkaloids. It is a growth factor for cells in culture and has been found to be neurotrophic. Caffeine-d9 can be analyzed using LC-MS/MS methods, which provide structural information on the molecule. The optical properties of caffeine-d9 are also studied by analytical chemistry. Caffeine-d9 can be used as an analytical tool for diagnosis and research purposes, such as the detection of urinary levels of caffeine or other compounds. This method is linear, providing accurate results for small changes in concentration.

Formula: C₈H₁₀N₄O₂

Purity: Min. 95%

Molecular weight: 203.25 g/mol

Ref: 3D-XCA23885

CAFFEINE-D9 (1,3,7-TRIMETHYL-D9)

CAS: 72238-85-8

Formula: C₈HD₉N₄O₂

Purity: 98%，98atom%D

Color and Shape: Solid

Molecular weight: 203.2461

Ref: IN-DA00FBOC