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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
  • 5415-44-1 Y
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:691622
ChEMBL
  • ChEMBLCHEMBL1767
ChemSpider
ECHA InfoCard 100.024.098
KEGG
  • C16361
  • 79437
UNII
  • Z61UN6MHB7 Y
  • DTXSID50202496
  • 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
  • CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
Properties
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).

References edit

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

External links edit

  • MSDS entry


trimethyluric, acid, also, referred, trimethyluric, acid, caffeine, purine, alkaloid, that, produced, some, plants, occurs, minor, metabolite, caffeine, humans, enzymes, that, metabolize, caffeine, into, trimethyluric, acid, humans, include, cyp1a2, cyp2e1, cy. 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 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 C 8H 10N 4O 3 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 referencesReferences edit 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 editMSDS entry nbsp This article about an alkaloid is a stub You can help Wikipedia by expanding it vte Retrieved from https en wikipedia org w index php title 1 3 7 Trimethyluric acid amp oldid 1195676244, wikipedia, wiki, book, books, library,

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