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Furafylline-[d3]

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General Information
Catalog: BLP-005518
CAS: 149981-47-5
Molecular Formula: C12H9D3N4O3
Molecular Weight: 263.27

Chemical Structure

Description	Furafylline-[d3] is a deuterium labelled form of Furafylline. Furafylline is a xanthine derivative and a selective inhibitor of human cytochrome P450 (CYP)1A2 with an IC50 of 0.07 µM. It was reported to inhibit the oxidation of caffeine.
Synonyms	Furafylline D3
IUPAC Name	3-(furan-2-ylmethyl)-1-methyl-8-(trideuteriomethyl)-7H-purine-2,6-dione
Related CAS	80288-49-9 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C
Canonical SMILES	CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C
InChI	InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)/i1D3
InChI Key	KGQZGCIVHYLPBH-FIBGUPNXSA-N
Boiling Point	543.6±60.0°C at 760 mmHg
Density	1.4±0.1 g/cm3
Storage	Store at -20°C