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5-Acetylamino-6-formylamino-3-methyl-uracil-[d3]

General Information
Catalog: BLP-003001
CAS: 1216442-68-0
Molecular Formula: C8H7D3N4O4
Molecular Weight: 229.21
Chemical Structure
5-Acetylamino-6-formylamino-3-methyl-uracil-[d3]
Description 5-Acetylamino-6-formylamino-3-methyl-uracil-[d3] is the labelled analogue of 5-Acetylamino-6-formylamino-3-methyluracil, which is one of Caffeine metabolites. Caffeine is a CNS stimulant. Alkaloid, purified from plants of Coffea genus, Rubiaceae.
Synonyms 5-Acetylamino-6-formylamino-3-methyl-d3-uracil; AFMU-d3
IUPAC Name N-[6-formamido-2,4-dioxo-3-(trideuteriomethyl)-1H-pyrimidin-5-yl]acetamide
Related CAS 85438-96-6 (unlabelled)
Canonical SMILES CC(=O)NC1=C(NC(=O)N(C1=O)C)NC=O
InChI InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)/i2D3
InChI Key RDZNZFGKEVDNPK-BMSJAHLVSA-N
Melting Point > 211 °C (dec.)
Purity 94%; ≥ 99% atom D
Solubility Slightly soluble in DMSO, Methanol (Heated)
Appearance Pale Yellow Solid
Storage -20 °C under inert atmosphere

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