Chemical Properties of Pentoxifylline (CAS 6493-05-6)

Pentoxifylline

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InChI
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
InChI Key
BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Formula
C13H18N4O3
SMILES
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
Molecular Weight1
278.31
CAS
6493-05-6
Other Names
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-
  • Theobromine, 1-(5-oxohexyl)-
  • BL 191
  • 3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione
  • Dimethyloxohexylxanthine
  • 3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione
  • 3,7-Dimethyl-1-(5-oxohexyl)xanthine
  • 1-(5-Oxohexyl)-3,7-dimethylxanthine
  • 1-(5-Oxohexyl)theobromine
  • Oxpentifylline
  • Pentoxifyllin
  • Pentoxiphyllium
  • Pentoxyphylline
  • Trental
  • Vazofirin
  • Azupentat
  • Durapental
  • Rentylin
  • Torental
  • EHT 0202
  • NSC 637086
  • Pentoxiphylline
  • Pentoxyfilline
  • Pentoxyphyllin
  • 1-(5-Oxohexyl)-3,7-dimethylxanthine (pentoxifylline)
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Physical Properties

Property Value Unit Source
log10WS -5.68 Crippen Calculated Property
logPoct/wat 0.193 Crippen Calculated Property
McVol 208.340 ml/mol McGowan Calculated Property
Inp [2371.00; 2420.00]   Show Hide
Inp 2371.00 NIST
Inp 2389.00 NIST
Inp 2420.00 NIST
Inp 2371.00 NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 36.60 kJ/mol 376.80 NIST

Similar Compounds

1-(6'-oxoheptyl)-3,7-dimethylxanthine. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. Pentifylline. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl, TMS. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl. 1-Butyltheobromine. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. erythro-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. 1-(5',6'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS.

Find more compounds similar to Pentoxifylline.

Sources

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