Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-
7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2,3-Dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)theophylline|Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-|7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino|7-(2,3-dihydroxypropyl)-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-(2,3-Dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)theophyline|7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione|7-(2,3-Dihydroxypropyl)-8-((3,4-dimethoxyphenethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-(2,3-Dihydroxypropyl)-8-{[2-(3,4-dimethoxyphenyl)ethyl]imino}-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H27N5O6 |
|---|---|
| Molecular Weight | 433.19614 g/mol |
| LogP | -0.5413 |
| Topological Polar Surface Area | 132.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.19614 |
| Monoisotopic Mass | 433.19614 |
| Heavy Atoms | 31 |
| Complexity | 1195.4594 |
Chemical Identifiers
| CAS Number | 78960-48-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC(=C(C=C3)OC)OC)CC(CO)O |
Product Overview
Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- (CAS 78960-48-2), with molecular formula C20H27N5O6 and molecular weight 433.19614 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione.