Products 117490-40-1

CAS 117490-40-1 appears in our catalog under these names: Theobromine–d6, Theobromine-d6, Theobromine-d6, >95% (HPLC), Theobromine-d6, 98.0%. Offered by: GLPBio, Chemat Brand, TRC, TargetMol, MedChemExpress. Available pack sizes: 1mg, on request, 2mg, 5mg, 500μg, 500ug, 500 μg, 1 mg.

Theobromine–d6
GLPBio
  • size: 1mg, 5mg, 500μg
  • Variants: 3
from 1210.19
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Theobromine-d6
Chemat Brand, TargetMol
  • size: on request, 1mg, 5mg, 500ug
  • Variants: 4
from 2065.94
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Theobromine-d6, >95% (HPLC)
TRC
  • size: 1mg, 2mg, 5mg
  • Variants: 3
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Theobromine-d6, 98.0%
MedChemExpress
  • size: 500 μg, 1 mg
  • Variants: 2
from 2279.46
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Structural formula: {0} (CAS {1})

Theobromine-d6 is an oxopurine.

Source: ChEBI

Identity
Molecular formulaC7H8N4O2
Molecular weight186.20 g/mol
IUPAC name3,7-bis(trideuteriomethyl)purine-2,6-dione
InChIKeyYAPQBXQYLJRXSA-WFGJKAKNSA-N
SMILES[2H]C([2H])([2H])N1C=NC2=C1C(=O)NC(=O)N2C([2H])([2H])[2H]

Computed by PubChem (NCBI)

Synonyms: 3,7-Dihydro-3,7-di(methyl-d3)-1H-purine-2,6-dione, Theobromine-d6, 3,7-bis(trideuteriomethyl)purine-2,6-dione, orb1738152, 3,7-Dimethylxanthine-[2H6] (Theobromine), 3,7-di(?H?)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3,7-Dimethylxanthine-(dimethyl-d6), 98 atom % D, 98% (CP), 3,7-Bis[(~2~H_3_)methyl]-3,7-dihydro-1H-purine-2,6-dione
Related forms of this compound
3,7-dimethylpurine-2,6-dione C7H8N4O2
Isomers (same molecular formula)
3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one C7H8N4O2
1,7-dimethyl-3H-purine-2,6-dione C7H8N4O2
3-(2-methyl-4-nitroimidazol-1-yl)propanenitrile C7H8N4O2
1,3-dimethyl-7H-purine-2,6-dione C7H8N4O2
1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one C7H8N4O2
N-cyclopropyl-5-nitropyrimidin-2-amine C7H8N4O2
3,9-dimethylpurine-2,6-dione C7H8N4O2
2-(4-nitrophenyl)guanidine C7H8N4O2
1,3-dimethyl-6H-imidazo[4,5-d]pyridazine-2,7-dione C7H8N4O2
1,9-dimethyl-3H-purine-2,6-dione C7H8N4O2
4-(hydrazinecarbonyl)pyridine-2-carboxamide C7H8N4O2