Chemical Properties of 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA

1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA

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InChI
InChI=1S/C17H23F3N4O4/c1-3-8-23-11-21-13-12(23)14(25)24(16(27)22(13)2)9-6-4-5-7-10-28-15(26)17(18,19)20/h11H,3-10H2,1-2H3
InChI Key
WPJYXKGVJKQNTC-UHFFFAOYSA-N
Formula
C17H23F3N4O4
SMILES
CCCn1cnc2c1c(=O)n(CCCCCCOC(=O)C(F)(F)F)c(=O)n2C
Molecular Weight1
404.38
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 1.97 Crippen Calculated Property

Similar Compounds

1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Pentifylline. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl. threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. erythro-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 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-. Etofylline. 1H-purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-. Etamiphyllin. FENETHYLLINE.

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