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5-Acetylamino-6-amino-3-methyluracil-[d3] Hydrate

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General Information
Catalog: BLP-012987
CAS: 1246816-23-8
Molecular Formula: C7H9D3N4O4
Molecular Weight: 219.21

Chemical Structure

Description	5-Acetylamino-6-amino-3-methyluracil-[d3] Hydrate is the labelled analogue of 5-Acetylamino-6-amino-3-methyluracil Hydrate, which is a metabolite of Caffeine.
Synonyms	AAMU-d3; 5-Acetylamino-6-amino-3-methyluracil-d3 Hydrate
IUPAC Name	N-[6-amino-2,4-dioxo-3-(trideuteriomethyl)-1H-pyrimidin-5-yl]acetamide;hydrate
Related CAS	1196153-01-1 (unlabelled) 19893-78-8 (unlabelled free base)
Canonical SMILES	CC(=O)NC1=C(NC(=O)N(C1=O)C)N.O
InChI	InChI=1S/C7H10N4O3.H2O/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13;/h8H2,1-2H3,(H,9,12)(H,10,14);1H2/i2D3;
InChI Key	UISWGTUSVPTGHL-MUTAZJQDSA-N
Solubility	Soluble in Acetone, DMSO, Ethyl Acetate, Methanol
Appearance	Yellow Solid
Storage	Store at -20°C under inert atmosphere