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* Service & Products of Interested: [Isotope Labeled Impurities] 1-(3-Carboxypropyl)-3,7-dimethylxanthine-[d6] (1246816-64-7)
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1-(3-Carboxypropyl)-3,7-dimethylxanthine-[d6]

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General Information
Catalog: BLP-013672
CAS: 1246816-64-7
Molecular Formula: C11H8D6N4O4
Molecular Weight: 272.29

Chemical Structure

Description	1-(3-Carboxypropyl)-3,7-dimethylxanthine-[d6] is the labelled analogue of 1-(3-Carboxypropyl)-3,7-dimethylxanthine, which is a metabolite of Pentoxifylline.
Synonyms	1-(3-Carboxypropyl)-3,7-dimethylxanthine-d6; 2,3,6,7-Tetrahydro-3,7-(dimethyl-d6)-2,6-dioxo-1H-purine-1-butanoic Acid; 3,6-Dihydro-3,7-(dimethyl-d6)-2,6-dioxopurine-1(2H)-butyric Acid; 1-(3-Carboxypropyl)theobromine-d6; 1-(3'-Carboxypropyl)-3,7-(dimethyl-d6)xanthine; 3,7-(Dimethyl-d6)-1-(3-carboxypropyl)xanthine
IUPAC Name	4-[2,6-dioxo-3,7-bis(trideuteriomethyl)purin-1-yl]butanoic acid
Related CAS	6493-07-8 (unlabelled)
Canonical SMILES	CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)O
InChI	InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)/i1D3,2D3
InChI Key	WKASGTGXOGALBG-WFGJKAKNSA-N
Purity	≥98%
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Heated)
Appearance	Off-white Solid
Storage	Store at -20°C