Chemical Properties of 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA

1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA

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InChI
InChI=1S/C15H19F3N4O4/c1-9(26-13(24)15(16,17)18)6-4-5-7-22-12(23)10-11(19-8-20(10)2)21(3)14(22)25/h8-9H,4-7H2,1-3H3
InChI Key
ZQNQBJNITRBVFR-UHFFFAOYSA-N
Formula
C15H19F3N4O4
SMILES
CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)C(F)(F)F
Molecular Weight1
376.33
Other Names
  • Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl, TFA
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 1.098 Crippen Calculated Property

Similar Compounds

1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. erythro-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Pentifylline. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. Paraxanthine, n-propyl derivative. Proxyphylline. Theophylline, 7-(2,3-dihydroxypropyl)-. 1H-purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-. 1H-purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-. Etofylline. Etamiphyllin. FENETHYLLINE.

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