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Catalogue Number:C981090
Chemical Name:7-(2-Cyanoethyl)-theophylline
Synonyms:1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanenitrile; 3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)propanenitrile
CAS Number:1811-38-7
Molecular Formula:C₁₀H₁₁N₅O₂
Appearance:Off-White Solid
Molecular Weight:233.23
Category:Standards; Pharmaceutical/API Drug Impurities/Metabolites;
Applications:7-(2-Cyanoethyl)-theophylline is an intermediate in the synthesis of Isocaffeine which is an impurity of Caffeine (C080100), a xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor.
References:Zubair, U.M., et al.: Anal. Profiles Drug Subs., 15, 71 (1986); Cherrah, Y., et al.: Biochem. Pharmacol., 37, 1311 (1988);
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