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CAS 832-66-6

:

3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione

Description:
3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione, commonly known as theobromine, is a naturally occurring alkaloid found in cacao beans and tea leaves. It is a member of the methylxanthine class of compounds, which also includes caffeine and theophylline. Theobromine is characterized by its white crystalline solid form and has a slightly bitter taste. It is soluble in water and organic solvents, such as ethanol and chloroform. The compound exhibits mild stimulant properties, primarily affecting the central nervous system and cardiovascular system, leading to increased heart rate and improved mood. Theobromine has various biological effects, including vasodilation and diuretic properties. It is also known for its role in promoting relaxation of smooth muscles and has been studied for potential health benefits, such as antioxidant effects. However, it can be toxic to certain animals, particularly dogs, due to their slower metabolism of theobromine compared to humans. Overall, theobromine is an important compound in both food science and pharmacology.
Formula:C9H12N4O2
InChI:InChI=1/C9H12N4O2/c1-5-10-7-6(11(5)2)8(14)13(4)9(15)12(7)3/h1-4H3
InChI key:InChIKey=LFHHOHMIVKIHMG-UHFFFAOYSA-N
SMILES:CN1C2=C(C(=O)N(C)C1=O)N(C)C(C)=N2
Synonyms:
  • 1,3,7,8-Tetramethylpurine-2,6-dione
  • 1,3,7,8-Tetramethylxanthine
  • 1,3,7,8-Tetrametyhlxanthine
  • 1,3,7,8-tetramethyl-3,7-dihydro-1H-purine-2,6-dione
  • 1-Methyl-caffeine
  • 1-Methylcaffeine
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7,8-tetramethyl-
  • 3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione
  • Brn 0220502
  • Methylcaffeine
  • See more synonyms
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