Bluedark| Theophylline | |
|---|---|
 | |
| Molecular structure via molpic | |
|
| |
| Molecular formula | C7H8N4O2 |
| Molecular mass | 180.16 g/mol |
| Density | g/cm³ g/cm3 |
| Appearance | White, crystalline alkaloid |
| Odor | Odorless |
| Taste | Bitter |
| Melting point | 522 to 525 °F (NTP, 1992) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Solubility | >27 [ug/mL] (The mean of the results at pH 7.4) |
| Identifiers [] | |
|---|---|
| IUPAC name | 1,3-dimethyl-7H-purine-2,6-dione |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| InChI | InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
| InChIKey | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
Theophylline
Theophylline (also known as 1,3-Dimethylxanthine, Elixophyllin, Theophyllin, Theolair, Theophylline anhydrous, Nuelin, Respbid, Theocin, Elixophylline or Lanophyllin) is a substance of the xanthine class.