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Doxofylline-[d4]

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General Information
Catalog: BLP-013707
CAS: 1346599-13-0
Molecular Formula: C11H10D4N4O4
Molecular Weight: 270.28

Chemical Structure

Description	Doxofylline-[d4] is the labelled analogue of Doxofylline, which is a xanthine derivative drug used to treat asthma.
Synonyms	Doxofylline-d4; 7-(1,3-Dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione-d4; 7-[1,3-(Dioxolan-d4)-2-ylmethyl)]theophylline; 2-(7'-Theophyllinemethyl)-1,3-dioxolane-d4; ABC 1213-d4; Ansimar-d4; Dioxyfilline-d4; Doxophylline-d4; Maxivent-d4; Ventax-d4
IUPAC Name	1,3-dimethyl-7-[(4,4,5,5-tetradeuterio-1,3-dioxolan-2-yl)methyl]purine-2,6-dione
Related CAS	69975-86-6 (unlabelled)
Canonical SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3
InChI	InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3/i3D2,4D2
InChI Key	HWXIGFIVGWUZAO-KHORGVISSA-N
Purity	95% by HPLC
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at 2-8°C