Chemical Properties of Pentifylline (CAS 1028-33-7)

Pentifylline

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InChI
InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
InChI Key
MRWQRJMESRRJJB-UHFFFAOYSA-N
Formula
C13H20N4O2
SMILES
CCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O
Molecular Weight1
264.32
CAS
1028-33-7
Other Names
  • 1-Hexyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
  • 1-Hexyl-3,7-dimethylxanthine
  • 1-Hexyltheobromine
  • 1H-Purine-2,6-dione, 1-hexyl-3,7-dihydro-3,7-dimethyl-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1-hexyl-3,7-dimethyl-
  • 3,7-Dimethyl-1-hexyl-1H,3H-purin-2,6-dione
  • Cosadon
  • Cosaldon
  • Hexyltheobromine
  • Pentifyllin
  • SK 7
  • SK 7 (pharmaceutical)
  • Theobromine, 1-hexyl-
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 1.01 Crippen Calculated Property

Similar Compounds

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

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