8-Chlorotheophylline-d6

• CAT Number: R052803
• CAS Number: 1346598-95-5
• Molecular Formula: C7HD6ClN4O2
• Molecular Weight: 220.65
• Purity: ≥95%
• Synonyms: 8-chloro-1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione
• InChI: InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)/i1D3,2D3
• InChIKey: RYIGNEOBDRVTHA-WFGJKAKNSA-N
• SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl

8-Chlorotheophylline-d6 is a deuterated form of 8-chlorotheophylline, a stimulant and xanthine derivative closely related to caffeine and theophylline. In this deuterated version, six hydrogen atoms are replaced with deuterium, making it useful for pharmacokinetic studies, particularly in mass spectrometry, where the isotopic labeling enhances the precision of metabolic tracking. 8-Chlorotheophylline-d6 retains the stimulant and bronchodilator properties of the parent compound, and it is often studied in conjunction with antihistamines for its role in reducing drowsiness in combination drugs like dimenhydrinate. Its deuterated form aids researchers in studying drug metabolism and interactions.