Theobromine-d3 (7-methyl-d3)
Product Code
TRC-T343803
CAS Number
Product Format
Neat
Molecular Formula
C7 D3 H5 N4 O2
Molecular Weight
183.183
Product Categories
TRC, Food additives, flavours and adulterants, Stable isotopes, Stable Isotope Labelled Analytical Standards
Alternate CAS Number
Unlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Theobromine-d3 (7-methyl-d3)
CAS Number
65566-69-0
Molecular Formula
C7 D3 H5 N4 O2
Molecular Weight
183.183
Accurate Mass
183.084
SMILES
[2H]C([2H])([2H])n1cnc2N(C)C(=O)NC(=O)c12
InChI
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1D3
IUPAC
3-methyl-7-(trideuteriomethyl)purine-2,6-dione
Alternate CAS Number
83-67-0
Unlabelled CAS Number
83-67-0
SIL Type
Deuterium
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat