Diphylline (Standard)

Chemical Information
Dyphylline is an oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs. It has a role as a bronchodilator agent, a vasodilator agent, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and a muscle relaxant. It is an oxopurine and a member of propane-1,2-diols.
| CAS Number | 479-18-5 |
| PubChem CID | 3182 |
| IUPAC Name | 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione |
| Molecular Formula | C10H14N4O4 |
| Molecular Weight | 254.24 |
| XLogP | -1.8 |
| Topological Polar Surface Area | 98.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 364 |
| Property | Value |
|---|---|
| Molecular Weight | 254.24 |
| XLogP3 | -1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 254.10150494 |
| Monoisotopic Mass | 254.10150494 |
| Topological Polar Surface Area | 98.9 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 364 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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