Products 72238-85-8
CAS 72238-85-8 appears in our catalog under these names: Caffeine-d9, Caffeine-d9, >95% (HPLC), Caffeine D9 (trimethyl D9) 100 µg/mL in Acetonitrile, Caffeine-d9 (1,3,7-trimethyl-d9), 99 atom % D, min 98% Chemical Purity. Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer, CDN, Biosynth. Available pack sizes: on request, 2,5mg, 25mg, 1ml, 0,1g, 0,05g, 5mg, 2mg.
Caffeine-d9 is a deuterated isotopologue of caffeine in which the nine hydrogens contained in the 1, 3, and 7 methyl groups are substituted with deuterium. It has a role as an adenosine receptor antagonist. It is an oxopurine and a deuterated compound.
Source: ChEBI
| Molecular formula | C8H10N4O2 |
|---|---|
| Molecular weight | 203.25 g/mol |
| IUPAC name | 1,3,7-tris(trideuteriomethyl)purine-2,6-dione |
| InChIKey | RYYVLZVUVIJVGH-GQALSZNTSA-N |
| SMILES | [2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])C([2H])([2H])[2H] |
Computed by PubChem (NCBI)
Synonyms:
1,3,7-Tris((~2~H_3_)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-Tris[(~2~H_3_)methyl]-3,7-dihydro-1H-purine-2,6-dione, Caffeine-d9, 1,3,7-tris(trideuteriomethyl)purine-2,6-dione, Caffeine-d9 (1,3,7-trimethyl-d9), d9-caffeine, Caffeine-(trimethyl-d9), 99 atom % D, 98% (CP), Caffeine D9 (trimethyl D9) 100 microg/mL in Acetonitrile, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-d3)-, 1,3,7-tri(?H?)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione