Pentoxifylline

• Formula: C₁₃H₁₈N₄O₃
• Molecular weight: 278.3070
• IUPAC Standard 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 Copy

  
• IUPAC Standard InChIKey: BYPFEZZEUUWMEJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 6493-05-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• 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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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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References

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Domanska, Pobudkowska, et al., 2009
Domanska, Urszula; Pobudkowska, Aneta; Pelczarska, Aleksandra; Gierycz, Pawel, p K _a and Solubility of Drugs in Water, Ethanol, and 1-Octanol ^«8224», J. Phys. Chem. B, 2009, 113, 26, 8941-8947, https://doi.org/10.1021/jp900468w . [all data]

Musumarra, Scarlata, et al., 1987
Musumarra, G.; Scarlata, G.; Romano, G.; Cappello, G.; Clementi, S.; Giulietti, G., Qualitative organic analysis. Part 2. Identification of drugs by principal components analysis of standardized TLC data in four eluent systems and of retention indices on SE 30, J. Anal. Toxicol., 1987, 11, 4, 154-163, https://doi.org/10.1093/jat/11.4.154 . [all data]

Burrows and Jolley, 1985
Burrows, J.L.; Jolley, K.W., Determination of Oxpentifylline and Four Metabolites in Plasma and Urine by Automated Capillary Gas Chromatography Using Nitrogen-Selective Detection, J. Chromatogr., 1985, 344, 187-198, https://doi.org/10.1016/S0378-4347(00)82019-8 . [all data]

Bryce and Burrows, 1980
Bryce, T.A.; Burrows, J.L., Determination of Oxpentifylline and a Metabolite, 1-(5'-Hydroxyhexyl)-3, 7-Dimethylxanthine, by Gas-Liquid Chromatography Using a Nitrogen-Selective Detector, J. Chromatogr., 1980, 181, 3-4, 355-361, https://doi.org/10.1016/S0378-4347(00)81138-X . [all data]

Notes

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• Symbols used in this document:
  

  ΔfusH

  Enthalpy of fusion

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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