Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-
7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-|7-(2-(4-Benzyl-1-piperazino)ethyl)theophylline|5-26-14-00015 (Beilstein Handbook Reference)|Piperazine, 1-benzyl-4-(1,3-dimethylxanthin-7-yl)ethyl-|7-[2-(4-Benzyl-1-piperazinyl)ethyl]theophyline|7-[2-(4-Benzyl-1-piperazinyl)ethyl]theophylline|7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione|Theophylline, 7-[2-(4-benzyl-1-piperazinyl)ethyl]-|7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|7-[2-(4-Benzyl-1-piperazinyl)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione|7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H26N6O2 |
|---|---|
| Molecular Weight | 382.21173 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.21173 |
| Monoisotopic Mass | 382.21173 |
| Heavy Atoms | 28 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 5651-33-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)CC4=CC=CC=C4 |
| InChIKey | HISDWWLNHMDWCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)- (CAS 5651-33-2), with molecular formula C20H26N6O2 and molecular weight 382.21173 g/mol. IUPAC: 7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione.