1,3,7-Trimethyluric acid

1,3,7-Trimethyluric acid, also referred to as trimethyluric acid and 8-oxy-caffeine, is a purine alkaloid that is produced in some plants and occurs as a minor metabolite of caffeine in humans.[1] The enzymes that metabolize caffeine into 1,3,7-trimethyluric acid in humans include CYP1A2, CYP2E1, CYP2C8, CYP2C9, and CYP3A4.[2]

1,3,7-Trimethyluric acid

Names
IUPAC name 1,3,7-trimethyl-9H-purine-2,6,8-trione
Other names 8-Oxy-caffeine
Identifiers
CAS Number	5415-44-1^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:691622
ChEMBL	ChEMBLCHEMBL1767
ChemSpider	71754^Y[Pubchem]
ECHA InfoCard	100.024.098
KEGG	C16361
PubChem CID	79437
UNII	Z61UN6MHB7^Y
CompTox Dashboard (EPA)	DTXSID50202496
InChI InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) Key: BYXCFUMGEBZDDI-UHFFFAOYSA-N
SMILES CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
Properties
Chemical formula	C8H10N4O3
Molar mass	210.192
Appearance	White, crystalline
Melting point	≥ 300 °C (572 °F; 573 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

References

1. "1,3,7-trimethyluric acid". PubChem Compound. National Center for Biotechnology Information. Retrieved 10 August 2014.
2. "Pharmacology". Caffeine. DrugBank. University of Alberta. 16 September 2013. Retrieved 8 August 2014.

External links

• MSDS entry