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CAS 7464-93-9

:

7,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione

Description:
7,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione, commonly known as theobromine, is a methylxanthine compound with a structure that includes a purine ring system. It is characterized by its three methyl groups attached to the nitrogen atoms of the purine ring, contributing to its unique properties. Theobromine is a white crystalline powder that is slightly soluble in water and more soluble in organic solvents. It exhibits a bitter taste and is known for its stimulant effects, primarily due to its ability to inhibit phosphodiesterase and block adenosine receptors, leading to increased alertness and reduced fatigue. Theobromine is found naturally in cacao beans and is a key component of chocolate, contributing to its flavor and effects. Additionally, it has mild diuretic properties and can act as a vasodilator, promoting blood flow. Its pharmacological effects are less potent than those of caffeine, another methylxanthine, making it a popular choice in various food and beverage products.
Formula:C8H10N4O3
InChI:InChI=1S/C8H10N4O3/c1-10-5-4(9-7(10)14)6(13)12(3)8(15)11(5)2/h1-3H3,(H,9,14)
InChI key:InChIKey=CWENCZHQIWXCCA-UHFFFAOYSA-N
SMILES:O=C1C2=C(N(C)C(=O)N1C)N(C)C(=O)N2
Synonyms:
  • Uric acid, 1,3,9-trimethyl-
  • NSC 400135
  • 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,9-trimethyl-
  • 1,3,9-Trimethyluric acid
  • 7,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione
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