Clinical data | |
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Other names | xantheose diurobromine 3,7-dimethylxanthine 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione |
Dependence liability | None |
Routes of administration | Oral |
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Pharmacokinetic data | |
Metabolism | Hepatic demethylation and oxidation |
Elimination half-life | 6–8 hours[1][2] |
Excretion | Renal (10% unchanged, rest as metabolites) |
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CompTox Dashboard (EPA) | |
ECHA InfoCard | 100.001.359 |
Chemical and physical data | |
Formula | C7H8N4O2 |
Molar mass | 180.167 g·mol−1 |
3D model (JSmol) | |
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Identifiers | |
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ECHA InfoCard | 100.001.359 |
CompTox Dashboard (EPA)
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Properties | |
Appearance | white solid |
Density | 1.524 g/cm3[3] |
Melting point | 351 °C (664 °F; 624 K) |
330 mg/L) | |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Theobromine, also known as xantheose, is the principal alkaloid of Theobroma cacao (cacao plant).[4] Theobromine is slightly water-soluble (330 mg/L) with a bitter taste.[5] In industry, theobromine is used as an additive and precursor to some cosmetics.[4] It is found in chocolate, as well as in a number of other foods, including tea (Camellia sinensis), some American hollies (yaupon and guayusa) and the kola nut. It is a white or colourless solid, but commercial samples can appear yellowish.[5]
Acta
was invoked but never defined (see the help page).