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1-Methyluric acid-d3

CAT: 0804-HY-W010031S1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W010031S1Size:1 mg
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Description
1-Methyluric acid-d3 is the deuterium labeled 1-Methyluric acid. 1-Methyluric acid acts on the urinary bladder mucosa and increases the blood glucose, insulin, triglyceride, and cholesterol levels[1].
CAS Number
1189480-64-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Metabolic Disease
Smiles
O=C1C2=C(NC(N2)=O)NC(N1C([2H])([2H])[2H])=O
Molecular Formula
C6H3D3N4O3
Molecular Weight
185.16
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Balasubramanian T, et al. Uric acid or 1-methyl uric acid in the urinary bladder increases serum glucose, insulin, true triglyceride, and total cholesterol levels in Wistar rats. ScientificWorldJournal. 2003 Oct 5;3:930-6.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1-Methyluric Acid-d3
CAS Number1189480-64-5
PubChem CID71434081
IUPAC Name1-(trideuteriomethyl)-7,9-dihydro-3H-purine-2,6,8-trione
Molecular FormulaC6H6N4O3
Molecular Weight185.16
XLogP-0.6
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity359
SMILES
[2H]C([2H])([2H])N1C(=O)C2=C(NC(=O)N2)NC1=O
InChI
InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)/i1D3
InChIKey
QFDRTQONISXGJA-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyluric Acid-d3
CAS: 1189480-64-5
CID: 71434081
Formula: C6H6N4O3
MW: 185.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight185.16
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass185.06282030
Monoisotopic Mass185.06282030
Topological Polar Surface Area90.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity359
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes