CAS 519-32-4

Isocaffeine

Description:

Isocaffeine, with the CAS number 519-32-4, is a purine alkaloid closely related to caffeine, sharing similar structural characteristics. It is classified as a methylxanthine, which is a group of compounds known for their stimulant effects on the central nervous system. Isocaffeine is typically found in certain plants and has been studied for its potential pharmacological properties, including its effects on alertness and cognitive function. The compound exhibits solubility in water and organic solvents, which is common among xanthine derivatives. Its molecular structure includes multiple methyl groups, contributing to its biological activity. While isocaffeine is less commonly discussed than caffeine, it is of interest in research related to its metabolic pathways and potential health benefits. The compound's safety profile and toxicity levels are not as well-documented as those of caffeine, necessitating further investigation to fully understand its effects and applications. Overall, isocaffeine represents a fascinating area of study within the realm of natural products and their effects on human physiology.

Formula: C₈H₁₀N₄O₂

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

InChI key: InChIKey=LPHGQDQBBGAPDZ-UHFFFAOYSA-N

SMILES: CN1C2=C(C(=O)N(C)C1=O)N=CN2C

Synonyms:

• 1,3,9-Trimethyl-1H-purine-2,6(3H,9H)-dione
• 1,3,9-Trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
• 1,3,9-Trimethylpurine-2,6-dione
• 1,3,9-Trimethylxanthine
• 1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
• 1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl-
• 3,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
• 9-Methyltheophylline
• Isocaffeine
• NSC 28332
• 2,6-Dihydroxy-1,3,9-trimethylpurine, Isocaffeine
• CAFFEINE IMP C
• 2,6-DIHYDROXY-1,3,9-TRIMETHYLPURINE
• Caffeine IMpurity C (Isocaffeine)
• 1,3,9- Trimethyllxanthine
• 1,3,9-TRIMETHYLXANTHINE (ISOCAFFEINE) 2, 6-DIHYDROXY-1,3,9-T
• Caffeine EP Impurity C

Caffeine Related Compound C

CAS: 519-32-4

Compounds containing a pyrimidine ring, whether or not hydrogenated, or piperazine ring in the structure, nesoi

Formula: C₈H₁₀N₄O₂

Color and Shape: White Fine Powder

Molecular weight: 194.08038

Ref: 45-1086063

1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione

CAS: 519-32-4

1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione

Formula: C₈H₁₀N₄O₂

Purity: 97%

Molecular weight: 194.19

Ref: 54-OR1054419

1,3,9-Trimethylxanthine

CAS: 519-32-4

Formula: C₈H₁₀N₄O₂

Molecular weight: 194.19

Ref: 7W-GL6117

Caffeine EP Impurity C (Caffeine USP Related Compound C, Isocaffeine)

CAS: 519-32-4

Formula: C₈H₁₀N₄O₂

Color and Shape: White To Off-White Solid

Molecular weight: 194.19

Ref: 4Z-C-184

1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione (Isocaffeine)

Controlled Product

CAS: 519-32-4

Formula: C₈H₁₀N₄O₂

Color and Shape: Neat

Molecular weight: 194.19

Ref: 86-MM0494.03

1,3,9-Trimethyl-3,9-Dihydro-1H-Purine-2,6-Dione

CAS: 519-32-4

Formula: C₈H₁₀N₄O₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 194.1906

Ref: IN-DA00DE0Z

Isocaffeine

CAS: 519-32-4

Applications Isocaffeine is an impurity of Caffeine (C080100), a xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor.
References Zubair, U.M., et al.: Anal. Profiles Drug Subs., 15, 71 (1986); Cherrah, Y., et al.: Biochem. Pharmacol., 37, 1311 (1988);

Formula: C₈H₁₀N₄O₂

Color and Shape: Neat

Molecular weight: 194.19

Ref: TR-I789200

Caffeine EP Impurity C

CAS: 519-32-4

Formula: C₈H₁₀N₄O₂

Molecular weight: 194.18

Ref: ST-EA-CP-C47003

1,3,9-Trimethylxanthine

Controlled Product

CAS: 519-32-4

1,3,9-Trimethylxanthine is a naturally occurring purine alkaloid that has been shown to have cytosolic calcium ion-antagonistic properties. It can also act as an antioxidant by donating electrons to free radicals and inhibiting lipid peroxidation. This compound is found in coffee beans and other sources of caffeine. It binds to the receptor for adenosine, which causes the antagonistic effects on intracellular calcium concentration. Trimethylxanthine can also be used to treat ventricular arrhythmias and increase locomotor activity in mammals. Trimethylxanthine has been shown to be effective in wastewater treatment as it removes organic pollutants from water by oxidizing them with hydrogen peroxide or chlorine gas.

Formula: C₈H₁₀N₄O₂

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 194.19 g/mol

Ref: 3D-FT08061

Isocaffeine

CAS: 519-32-4

Formula: C₈H₁₀N₄O₂

Molecular weight: 194.19

Ref: BE-RMCC015017

1,3,9-Trimethylxanthine

CAS: 519-32-4

1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione

Formula: C₈H₁₀N₄O₂

Purity: 97%

Molecular weight: 194.19

Ref: IN-DG135092

ISOCAFFEINE

CAS: 519-32-4

Purity: 95%

Molecular weight: 194.1940002

Ref: 10-F847787

Isocaffeine-d3

Controlled Product

CAS: 519-32-4

Formula: C₈D₃H₇N₄O₂

Color and Shape: Neat

Molecular weight: 197.209

Ref: TR-I789202