1,3,7-Trimethyluric acid

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	5415-44-1 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:691622;
ChEMBL	ChEMBLCHEMBL1767;
ChemSpider	71754 [Pubchem];
ECHA InfoCard	100.024.098
KEGG	C16361;
PubChem CID	79437;
UNII	Z61UN6MHB7 ;
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

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]

References

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

External links

MSDS entry

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[Pubchem-1] "1,3,7-trimethyluric acid". PubChem Compound. National Center for Biotechnology Information. Retrieved 10 August 2014.

[Drugbank-Caffeine-2] "Caffeine: Pharmacology". DrugBank. University of Alberta. 16 September 2013. Retrieved 8 August 2014.

[1]

[2]