Theobromine-d3 (7-methyl-d3)

• Synonyms:

  Theobromine D3 (7-Methyl D3); 3,7-Dihydro-3-methyl-7-(methyl-d3)-1H-purine-2,6-dione (ACI); 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-7-(methyl-d3)- (9CI, ACI)

• Hazard Statement:

  Harmful if swallowed.

• Smiles:

  [2H]C([2H])([2H])n1cnc2N(C)C(=O)NC(=O)c12

• Molecular Formula:

  C7 D3 H5 N4 O2

• Molecular Weight:

  183.183

• 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

• Additionnal Information:

  IUPAC name: 3-methyl-7-(trideuteriomethyl)purine-2,6-dione

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  +4°C

• CAS Number:

  65566-69-0