Record Information
Creation date2015-10-09 22:32:47 UTC
Update date2017-01-19 02:36:37 UTC
FoodComEx IDPC000805
FoodDB RecordFDB022780
Chemical Information
Name3,7-Dimethyluric acid
Description3,7-Dimethyluric acid, also known as 3,7-dimethylate or 3,7-DMU, belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-3 and N-7. 3,7-Dimethyluric acid is an extremely weak basic (essentially neutral) compound (based on its pKa). 3,7-Dimethyluric acid exists in all living organisms, ranging from bacteria to humans. 3,7-dimethyluric acid can be biosynthesized from theobromine through the action of the enzyme xanthine dehydrogenase/oxidase. In humans, 3,7-dimethyluric acid is involved in caffeine metabolism.
CAS Number13087-49-5
7-Dimethylic acidGenerator
Chemical FormulaC7H8N4O3
IUPAC name3,7-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
InChI IdentifierInChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)
Isomeric SMILESCN1C(=O)NC2=C1C(=O)NC(=O)N2C
Average Molecular Weight196.1634
Monoisotopic Molecular Weight196.059640142
Chemical Taxonomy
Description Belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
Sub ClassPurines and purine derivatives
Direct ParentXanthines
Alternative Parents
  • Xanthine
  • 6-oxopurine
  • Purinone
  • Alkaloid or derivatives
  • Pyrimidone
  • N-substituted imidazole
  • Pyrimidine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Vinylogous amide
  • Lactam
  • Urea
  • Azacycle
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 100 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez
Commercial Vendors
Not Available