Products 78072-66-9
CAS 78072-66-9 appears in our catalog under these names: Caffeine-13C3, Caffeine-13C3, >95% (HPLC), Caffeine 13C3 (trimethyl 13C3), Caffeine 13C3 (trimethyl 13C3) 100 µg/mL in Acetonitrile, Caffeine–13C3 (CRM). Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer, GLPBio, Biosynth. Available pack sizes: on request, 10mg, 25mg, 5mg, 1ml, 1mg, 100mg, 1G.
Caffeine-(trimethyl-(13)C3) is a 13C-modified compound that is caffeine in which the carbon atoms of the three methyl groups at positions 1, 3 and 7 are replaced by 13C isotopes. It is a (13)C-modified compound and an oxopurine.
Source: ChEBI
| Molecular formula | C8H10N4O2 |
|---|---|
| Molecular weight | 197.17 g/mol |
| IUPAC name | 1,3,7-tri((113C)methyl)purine-2,6-dione |
| InChIKey | RYYVLZVUVIJVGH-VMIGTVKRSA-N |
| SMILES | [13CH3]N1C=NC2=C1C(=O)N(C(=O)N2[13CH3])[13CH3] |
Computed by PubChem (NCBI)
Synonyms:
1,3,7-Tris((13C)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-Tris[(13C)methyl]-3,7-dihydro-1H-purine-2,6-dione, Caffeine-trimethyl-13C3, Caffeine-13C3, 1,3,7-tri((113C)methyl)purine-2,6-dione, Caffeine-13C3 (CRM), Caffeine-(trimethyl-13C3), 99 atom % 13C, 99% (CP), 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-13C)-, 1,3,7-Tris[(~13~C)methyl]-3,7-dihydro-1H-purine-2,6-dione, Caffeine 13C3 (trimethyl 13C3) 100 microg/mL in Acetonitrile