- 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
- InChI Key
- KSCFJBIXMNOVSH-UHFFFAOYSA-N
- Formula
- C10H14N4O4
- SMILES
-
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1
=O - Molecular Weight1
- 254.24
- CAS
- 479-18-5
- Other Names
-
- (1,2-Dihydroxy-3-propyl)thiophyllin
- (rac)-Diprophylline
- 1,3-Dimethyl-7-(2,3-dihydroxypropyl)xanthine
- 1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
- 7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine
- 7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
- 7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (dyphylline)
- 7-(2,3-Dihydroxypropyl)theophylline
- 7-(2,3-Dioxypropyl)theophylline
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- 7-(«beta»,«gamma»-Dihydroxypropyl)theophylline
- 7-(«beta»,«gamma»-Dihydroxypropyl)theophylline
- AFI-Phyllin
- Aristophyllin
- Asthmolysin
- Astmamasit
- Astrophyllin
- Circain
- Circair
- Cor-Theophylline
- Coronal
- Coronarin
- Corphyllin
- Dihydroxypropyl theophylline
- Dihydroxypropyl theopylin
- Dilor
- Diphyllin
- Diphylline
- Diprofillin
- Diprofilline
- Diprophyllin
- Diprophylline
- Dipropylline
- Droxine
- Dyflex
- Glyfyllin
- Glyphyllin
- Glyphylline
- Hidroxiteofillina
- Hiphyllin
- Hyphylline
- Iphyllin
- Isophyllen
- Liactemin
- Lufyllin
- Neo-Vasophylline
- Neophyl
- Neophyllin
- Neophylline
- Neostenovasan
- Neothyllin
- Neothylline
- Neotilina
- Neufil
- Neutrafil
- Neutrafillina
- Neutraphyllin
- Neutraphylline
- Neutroxantina
- Propyphyllin
- Protheophylline
- Purifilin
- Silbephyllin
- Silbephylline
- Solufilin
- Solufyllin
- Soluphyllin
- Synthophylline
- Tefilan
- Teofen
- Theal
- Theal ampules
- Thefylan
- Theophylline, 7-(2,3-dihydroxypropyl)-
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-0.17; 0.12] |
|
|
| log10WS | -0.17 | Aq. Sol... | |
| log10WS | -0.17 | Estimat... | |
| log10WS | 0.12 | Rytting... | |
| logPoct/wat | -2.213 | Crippen Calculated Property | |
| McVol | 176.240 | ml/mol | McGowan Calculated Property |
| Inp | [2237.00; 2266.00] |
|
|
| Inp | 2237.00 | NIST | |
| Inp | 2266.00 | NIST | |
| Tfus | [433.05; 434.65] | K |
|
| Tfus | 434.65 | K | Aq. Sol... |
| Tfus | 433.05 | K | The dis... |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 39.30 | kJ/mol | 435.70 | NIST |
Similar Compounds
Find more compounds similar to Dyphylline.
Mixtures
- Dyphylline + Methyl Alcohol
- Ethanol + Dyphylline
- 1-Propanol + Dyphylline
- Isopropyl Alcohol + Dyphylline
- Acetone + Dyphylline
- Acetonitrile + Dyphylline
- Dyphylline + Ethyl Acetate
- Dyphylline + Water
- Dyphylline + 1,4-Dioxane
- Toluene + Dyphylline
- Dyphylline + Methyl Alcohol + Water
Sources
- Crippen Method
- The dissolution behaviour and apparent thermodynamic analysis of diprophylline in pure and mixed solvents
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.