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1,7-Dimethyluric Acid-d3

CAT: 1459-CS-T-53710Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-53710Size:1 Each
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Description
1,7-Dimethyluric Acid-d3 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Caffeine. The product is supplied by Clearsynth under CAT No. CS-T-53710. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1189713-08-3
Synonyms
1,7-Dimethyluric Acid-d3
Molecular Formula
C 7 H 5 D 3 N 4 O 3
Molecular Weight
199.2
Additionnal Information
1,7-Dimethyluric Acid-d3 is supplied with detailed characterization data compliant with regulatory guideline. 1,7-Dimethyluric Acid-d3 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Caffeine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

1,7-Dimethyluric Acid-d3
CAS Number1189713-08-3
PubChem CID46781384
IUPAC Name7-methyl-1-(trideuteriomethyl)-3,9-dihydropurine-2,6,8-trione
Molecular FormulaC7H8N4O3
Molecular Weight199.18
XLogP-0.2
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity386
SMILES
[2H]C([2H])([2H])N1C(=O)C2=C(NC(=O)N2C)NC1=O
InChI
InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)/i2D3
InChIKey
NOFNCLGCUJJPKU-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of 1,7-Dimethyluric Acid-d3
CAS: 1189713-08-3
CID: 46781384
Formula: C7H8N4O3
MW: 199.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.18
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass199.07847037
Monoisotopic Mass199.07847037
Topological Polar Surface Area81.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity386
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

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