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
Preferred IUPAC name
1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
Other names
8-Oxy-caffeine
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.024.098
KEGG
PubChem CID
UNII
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.


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