Methylliberine

Methylliberine
Names

IUPAC name 2-Methoxy-1,7,9-trimethylpurine-6,8-dione
Other names O(2),1,7,9-Tetramethylurate; Tetramethyluric acid
Identifiers
ChemSpider	43515875
Jmol interactive 3D	Image
PubChem	15872156
InChI InChI=1S/C9H12N4O3/c1-11-5-6(12(2)9(11)15)10-8(16-4)13(3)7(5)14/h1-4H3 Key: ZVQXCXPGLSBNCX-UHFFFAOYSA-N InChI=1/C9H12N4O3/c1-11-5-6(12(2)9(11)15)10-8(16-4)13(3)7(5)14/h1-4H3 Key: ZVQXCXPGLSBNCX-UHFFFAOYAY
SMILES CN1C2=C(N=C(N(C2=O)C)OC)N(C1=O)C
Properties
Chemical formula	C₉H₁₂N₄O₃
Molar mass	224.22 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Methylliberine is an isolate of coffee beans, tea, cola nuts, guarana, cocoa, and yerba mate.^[1]

References

↑ "Minor alkaloids in caffeine-containing beverages". Deutsche Lebensmittel-Rundschau 96 (11): 363–368. 2000.

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