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5-Acetylamino-6-formylamino-3-methyluracil-[d3]

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General Information
Catalog: BLP-010636
CAS: 1185082-65-8
Molecular Formula: C8H7D3N4O4
Molecular Weight: 229.21

Chemical Structure

Description	5-Acetylamino-6-formylamino-3-methyluracil-[d3] is the labelled analogue of 5-Acetylamino-6-formylamino-3-methyluracil, which is a metabolite of Caffeine.
Synonyms	5-Acetyl-d3-amino-6-formylamino-3-methyluracil; AFMU-d3; N-(6-formamido-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide-d3; N-(6-formamido-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide-d3
IUPAC Name	2,2,2-trideuterio-N-(6-formamido-3-methyl-2,4-dioxo-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)/i1D3
InChI Key	RDZNZFGKEVDNPK-FIBGUPNXSA-N
Melting Point	227-229°C
Purity	95%
Solubility	Soluble in DMSO, Methanol
Appearance	Crystalline Solid
Storage	Store at -20°C under inert atmosphere