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
- IUPAC Standard InChIKey: BYPFEZZEUUWMEJ-UHFFFAOYSA-N
- 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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Kovats' RI, non-polar column, isothermal
Go To: Top, References, Notes
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
| Column type | Packed | Capillary | Packed |
|---|---|---|---|
| Active phase | SE-30 | Cross-Linked Methylsilicone | OV-1 |
| Column length (m) | 2. | 25. | 2. |
| Carrier gas | N2 | He | |
| Substrate | 1% se-30 on Anachrom ABS(80-100mesh) | Chromosorb W HP (100-120 mesh) | |
| Column diameter (mm) | 0.31 | ||
| Phase thickness (μm) | 0.17 | ||
| Temperature (C) | 220. | 230. | 240. |
| I | 2371. | 2389. | 2420. |
| Reference | Musumarra, Scarlata, et al., 1987 | Burrows and Jolley, 1985 | Bryce and Burrows, 1980 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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
Go To: Top, Kovats' RI, non-polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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