Description
A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator.
Chemical properties
| Chemical formula | Net charge | Average mass |
|---|---|---|
| C7H8N4O2 | 0 | 180.16418 |
Nomenclature
| IUPAC | SMILES | InChI | InChIKey | Synonyms |
|---|---|---|---|---|
| 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | Cn1cnc2n(C)c(=O)[nH]c(=O)c12 | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
|
Citations
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- Skwierawska, A, et al. 2012. Inhibition of impurities formation in the synthesis of N-alkyltheobromines stimulated by microwave irradiation. Cationic and anionic response of membrane electrodes. Journal of Inclusion Phenomena and Macrocyclic Chemistry. 74(1-4).
- Song, M, et al. 2012. Identification and dynamic analysis of the purine alkaloids in rat plasma after oral administration of green tea by liquid chromatography hybrid ion trap time-of-flight mass spectrometry. Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences. 903.
- Vergnes, MF, et al. 1986. [Not Available]. Talanta. 33(12).