CAS 1076-22-8: 3-Methylxanthine

Description: 3-Methylxanthine is a purine derivative and a methylated form of xanthine, classified as a stimulant and a metabolite of caffeine and theobromine. Its molecular formula is C7H8N4O2, and it features a bicyclic structure composed of a fused imidazole and pyrimidine ring. This compound is characterized by the presence of three nitrogen atoms and two carbonyl groups, contributing to its biological activity. 3-Methylxanthine exhibits moderate solubility in water and is often studied for its potential effects on the central nervous system, including its role in enhancing cognitive function and physical performance. It is also of interest in pharmacological research due to its potential as a therapeutic agent in various conditions, including respiratory diseases. The compound can be synthesized through methylation of xanthine and is typically analyzed using techniques such as high-performance liquid chromatography (HPLC) for purity and concentration. Overall, 3-Methylxanthine serves as an important compound in both biochemistry and pharmacology, with implications for health and disease management.

Formula: C₆H₆N₄O₂

InChI: InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)

InChI key: InChIKey=GMSNIKWWOQHZGF-UHFFFAOYSA-N

SMILES: O=C1NC(=O)N(C=2N=CNC12)C

Synonyms:

• 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-
• 1H-Purine-2,6-dione, 3,9-dihydro-3-methyl-
• 2,6-Dihydroxy-3-methylpurine
• 3 Mx
• 3,7-Dihydro-3-methyl-1H-purine-2,6-dione
• 3,9-Dihydro-3-methyl-1H-purine-2,6-dione
• 3-Methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
• 3-Methyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
• 3-Methyl-3,7-dihydropurine-2,6-dione
• 3-Methyl-3,9-dihydro-purine-2,6-dione
• 3-Methyl-7H-purine-2,6-dione
• 3-methyl-1H-purine-2,6(3H,7H)-dione
• 3-methyl-3,7-dihydro-1H-purine-2,6-dione
• 3-methyl-3H-purine-2,6-diol
• Ccris 5817
• Nsc 515466
• Xanthine, 3-methyl-
• 3-Methylxanthine

3-Methylxanthine

CAS: 1076-22-8

• Formula: C₆H₆N₄O₂
• Purity: >98.0%(T)(HPLC)
• Color and Shape: White to Light yellow powder to crystal
• Molecular weight: 166.14

3-Methylxanthine, 98+%

CAS: 1076-22-8

3-Methylxanthine is a Xanthine derivative with diuretic, cardiac stimulant and smooth muscle relaxant activities; isomeric …

• Formula: C₆H₆N₄O₂
• Purity: 98+%
• Color and Shape: Powder, Pale cream to cream
• Molecular weight: 166.14

Theophylline Related Compound B (3-Methyl-1H-purine-2,6-dione)

CAS: 1076-22-8

Theophylline and aminophylline (excluding fenetylline) and their derivatives, salts thereof, not elsewhere specified or included

• Formula: C₆H₆N₄O₂
• Color and Shape: Light Yellow Powder
• Molecular weight: 166.04908

3-Methyl-1H-purine-2,6(3H,7H)-dione

CAS: 1076-22-8

• Formula: C₆H₆N₄O₂
• Purity: 97%
• Color and Shape: Solid
• Molecular weight: 166.1374

3-Methylxanthine

CAS: 1076-22-8

3-Methylxanthine inhibits GMP & xanthine crystallization; IC50 of 920 μM in guinea-pig trachealis; may prevent …

• Formula: C₆H₆N₄O₂
• Purity: 98% - ≥98%
• Color and Shape: Liquid
• Molecular weight: 166.14

3-Methylxanthine

CAS: 1076-22-8

• Formula: C₆H₆N₄O₂
• Molecular weight: 166.14

Theophylline EP Impurity B (Theophylline USP Related Compound B, Pentoxifylline EP Impurity B)

CAS: 1076-22-8

• Formula: C₆H₆N₄O₂
• Color and Shape: Off-White Solid
• Molecular weight: 166.14

3-Methylxanthine

CAS: 1076-22-8

• Formula: C₆H₆N₄O₂
• Color and Shape: Neat
• Molecular weight: 166.14

Theophylline EP Impurity B (Pentoxifylline EP Impurity B)

CAS: 1076-22-8

• Formula: C₆H₆N₄O₂
• Color and Shape: Neat
• Molecular weight: 166.14

3-Methyl-3,7-dihydro-1H-purine-2,6-dione

CAS: 1076-22-8

• Formula: C₆H₆N₄O₂
• Purity: By hplc: 98.7% by are (254nm) (Typical Value in Batch COA)
• Color and Shape: light gold/tan. lumpy powder
• Molecular weight: 166.14g/mol

3-Methyl-1H-purine-2,6(3H,7H)-dione

CAS: 1076-22-8

• Purity: 95.0%
• Color and Shape: Solid, Light yellow powder
• Molecular weight: 166.13999938964844

3-Methylxanthine

CAS: 1076-22-8

Impurity Pentoxifylline EP Impurity B Applications 3-Methylxanthine (Pentoxifylline EP Impurity B) is a metabolite of …

• Formula: C₆H₆N₄O₂
• Color and Shape: Beige
• Molecular weight: 166.14

3-Methylxanthine

CAS: 1076-22-8

Diuretic; cardiac stimulant; smooth muscle relaxant; bronchodilator

• Formula: C₆H₆N₄O₂
• Purity: Min. 98 Area-%
• Color and Shape: Powder
• Molecular weight: 166.14 g/mol