Chemical Properties of 8-Chlorotheophylline (CAS 85-18-7)

8-Chlorotheophylline

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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
RYIGNEOBDRVTHA-UHFFFAOYSA-N
Formula
C7H7ClN4O2
SMILES
Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
Molecular Weight1
214.61
CAS
85-18-7
Other Names
  • 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-
  • Theophylline, 8-chloro-
  • 1,3-Dimethyl-8-chloroxanthine
  • 8-Chlorotheophyline

Physical Properties

Property Value Unit Source
log10WS -4.37 Crippen Calculated Property
logPoct/wat -0.868 Crippen Calculated Property
McVol 134.470 ml/mol McGowan Calculated Property

Similar Compounds

Theophylline. Caffeine, 8-chloro. 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3-dimethyl-. 1,3,7-Trimethyluric acid. 1H-Purine-2,6-dione, 3,7-dihydro-8-(hydroxymethyl)-1,3-dimethyl-. 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-. 1,3,7,9-Tetramethyluric acid. Uric acid, 3,7-dimethyl. Uric acid, 3-methyl. caffeine. 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-. Uric acid, 1-methyl. 1-methyluric acid. 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(trimethylsilyl)-. 1-Ethyltheobromine.

Find more compounds similar to 8-Chlorotheophylline.

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