Dyphylline
- Formula: C10H14N4O4
- Molecular weight: 254.2426
- IUPAC Standard InChI: InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
- IUPAC Standard InChIKey: KSCFJBIXMNOVSH-UHFFFAOYSA-N
- CAS Registry Number: 479-18-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Diphyllin; 1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-; Theophylline, 7-(2,3-dihydroxypropyl)-; Aristophyllin; Astrophyllin; AFI-Phyllin; Circain; Cor-Theophylline; Coronal; Coronarin; Corphyllin; Diprofillin; Diprofilline; Diprophyllin; Diprophylline; Dipropylline; Glyfyllin; Glyphyllin; Glyphylline; Hidroxiteofillina; Hiphyllin; Hyphylline; Lufyllin; Neo-Vasophylline; Neophyllin; Neophylline; Neostenovasan; Neothylline; Neotilina; Neufil; Neutrafil; Neutrafillina; Neutraphyllin; Neutraphylline; Neutroxantina; Propyphyllin; Purifilin; Silbephyllin; Silbephylline; Solufilin; Solufyllin; Soluphyllin; Synthophylline; Tefilan; Teofen; Theal; Thefylan; 7-(β,γ-Dihydroxypropyl)theophylline; 7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine; 7-(2,3-Dihydroxypropyl)theophylline; (1,2-Dihydroxy-3-propyl)thiophyllin; Asthmolysin; Dihydroxypropyl theophylline; Dihydroxypropyl theopylin; Dilor; Droxine; Dyflex; Iphyllin; Liactemin; Neophyl; Protheophylline; 1,3-Dimethyl-7-(2,3-dihydroxypropyl)xanthine; 7-(2,3-Dioxypropyl)theophylline; 7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; Diphylline; Theal ampules; Astmamasit; Circair; Isophyllen; Neothyllin; 7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (dyphylline)
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Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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: William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference |
|---|---|---|
| 39.3 | 435.7 | Griesser, Auer, et al., 1999 |
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
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-9979 |
| NIST MS number | 239172 |
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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SPB-1 | 250. | 2237. | Lora-Tamayo, Rams, et al., 1986 | He; Column length: 25. m; Column diameter: 0.20 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2266. | Sharp, 1987 | 15. m/0.25 mm/0.25 μm, He, 130. C @ 1. min, 10. K/min, 290. C @ 10. min |
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.
Griesser, Auer, et al., 1999
Griesser, U.J.; Auer, M.E.; Burger, A.,
The polymorphic drug substances of the European pharmacopoeia. Part 10. Diprophylline,
Sci. Pharm., 1999, 67, 4, 319. [all data]
Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R.,
Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns,
J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5
. [all data]
Sharp, 1987
Sharp, M.E.,
A rapid screening procedure for acidic and neutral drugs in blood by high resolution gas chromatography,
J. Anal. Toxicol., 1987, 11, 1, 8-11, https://doi.org/10.1093/jat/11.1.8
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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