Allopurinol impurity C

CAS: 1346604-13-4

Ref. 3D-IA63601

Product Information

• Name: Allopurinol impurity C
• Brand: Biosynth
• Description: Allopurinol impurity C is a product of the reaction between allopurinol and n-butyl alcohol, which occurs in the presence of sodium hydroxide solution and dimethylformamide. The reaction condition is heated to reflux for 12 hours, after which the mixture is filtered and concentrated under reduced pressure. The resultant crude product is purified by column chromatography with ethyl acetate and then recrystallized from methanol. The synthesis scheme can be found in Figure 1.

Chemical properties

• Molecular weight: 178.15 g/mol
• Formula: C₆H₆N₆O
• Purity: Min. 95%
• Color/Form: Slightly Yellow Powder
• InChI: InChI=1S/C6H6N6O/c7-5(13)4-1-8-11-6(4)12-2-9-10-3-12/h1-3H,(H2,7,13)(H,8,11)
• InChI key: InChIKey=LMEGOYJADZSMBE-UHFFFAOYSA-N
• SMILES: NC(=O)c1cn[nH]c1-n1cnnc1