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CAS 27760-74-3

:

1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione

Description:
1,3-Dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione, commonly known as theobromine, is a methylxanthine compound with a structure that includes a purine base. It is characterized by its two methyl groups at the 1 and 3 positions and a propyl group at the 7 position of the purine ring. The substance is a white to off-white crystalline powder that is soluble in water and organic solvents like ethanol and chloroform. Theobromine exhibits mild stimulant properties, similar to caffeine, and is primarily found in cocoa beans, tea leaves, and various plants. It has a range of biological effects, including vasodilation, diuresis, and muscle relaxation, making it of interest in both food and pharmaceutical applications. The compound is also known for its role in the flavor and aroma of chocolate products. Its safety profile is generally favorable, although excessive consumption can lead to adverse effects, particularly in sensitive individuals or animals.
Formula:C10H14N4O2
InChI:InChI=1/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
Synonyms:
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-propyl-
  • Theophylline, n-propyl derivative
  • 1,3-Dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
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