Products for Research Use Only
RegisterLogin

1,3-Dimethyluric acid

CAT: 0804-HY-W014993-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-W014993-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi.
CAS Number
944-73-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Metabolite; Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/1,3-Dimethyl-1H-purine-2,6,8_3H,7H,9H_-trione.html
Purity
99.36
Solubility
DMSO : 5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(N1C)N(C)C2=C(NC(N2)=O)C1=O
Molecular Formula
C7H8N4O3
Molecular Weight
196.16
Precautions
H302, H315, H319, H335
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

1,3-Dimethyluric acid

1,3-dimethyluric acid is an oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3. It has a role as a metabolite. It is functionally related to a 7,9-dihydro-1H-purine-2,6,8(3H)-trione. It is a conjugate acid of a 1,3-dimethylurate anion.

CAS Number944-73-0
PubChem CID70346
IUPAC Name1,3-dimethyl-7,9-dihydropurine-2,6,8-trione
Molecular FormulaC7H8N4O3
Molecular Weight196.16
XLogP-0.5
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity386
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2
InChI
InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)
InChIKey
OTSBKHHWSQYEHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dimethyluric acid
CAS: 944-73-0
CID: 70346
Formula: C7H8N4O3
MW: 196.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.16
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass196.05964013
Monoisotopic Mass196.05964013
Topological Polar Surface Area81.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-W506071-013,7-Dimethyluric acid
HY-1260611,7-Dimethyluric acid
HY-126061S1,7-Dimethyluric acid-d3
HY-N1412-011,3-Dicaffeoylquinic acid
HY-N7616-01Oleanolic acid-3-O-glucosyl (1-2) xylyl (1-3) glucosiduronic acid
HY-169942-013- (1-Carboxyvinyloxy) benzoic acid
HY-113327-011,3,7-Trimethyluric acid
HY-W001570-013-Hydroxy-1-adamantanecarboxylic acid
HY-W065670-013-Methoxyisoquinoline-1-carboxylic acid
HY-W062484Cyclobutane-1,3-dicarboxylic acid

Alternative Products

CatalogName
T8075-011,3-Dimethyluric acid
T41367-011,7-Dimethyluric acid
TRC-D448230-10MG1,9-Dimethyluric Acid
sc-226324A3,7-Dimethyluric acid

Popular Products