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CAS 85-18-7

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8-Chlorotheophylline

Description:
8-Chlorotheophylline is a chemical compound that belongs to the class of methylxanthines, which are derivatives of xanthine. It is structurally related to theobromine and theophylline, featuring a chlorine atom at the 8-position of theophylline. This compound is typically a white to off-white crystalline powder and is soluble in water, reflecting its polar nature. 8-Chlorotheophylline exhibits pharmacological properties, including mild stimulant effects on the central nervous system, and has been studied for its potential use in various therapeutic applications, such as respiratory conditions and as a diuretic. Its mechanism of action is primarily attributed to the inhibition of phosphodiesterase enzymes, leading to increased levels of cyclic AMP in cells. Additionally, it may have effects on smooth muscle relaxation, particularly in the bronchial passages. Safety and toxicity profiles should be considered, as with any pharmacologically active compound, and it is important to handle it with care in laboratory settings.
Formula:C7H7ClN4O2
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)
InChI key:InChIKey=RYIGNEOBDRVTHA-UHFFFAOYSA-N
SMILES:O=C1C2=C(N(C)C(=O)N1C)N=C(Cl)N2
Synonyms:
  • 1,3-Dimethyl-8-chloroxanthine
  • 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-
  • 1H-Purine-2,6-dione, 8-chloro-3,9-dihydro-1,3-dimethyl-
  • 8-Chloro Theophylline
  • 8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione
  • 8-Chloro-1,3-dimethyl-2,6-purinedione
  • 8-Chloro-1,3-dimethylxanthine
  • 8-Chloro-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • NSC 6113
  • See more synonyms
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