Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-
7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Oprea1_858169|7-(2-Hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)theophylline|5-26-14-00058 (Beilstein Handbook Reference)|7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione|Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-|7-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3|7-[2-HYDROXY-3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPYL]-1,3-DIMETHYL- PURINE-2,6-DIONE|Theophylline, 7-[2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-|1H-Purine-2,6-dione, 3,7-dihydro-7-[2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-1,3-dimethyl-|1H-Purine-2,6-dione,3,7-dihydro-7-[2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-1,3-dimethyl-|3,7-Dihydro-7-[2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-1,3-dimethyl-1H-purine-2,6-dione|7-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H26N6O4 |
|---|---|
| Molecular Weight | 366.20154 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 108.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.20154 |
| Heavy Atoms | 26 |
| Complexity | 877.2 |
Chemical Identifiers
| CAS Number | 19971-97-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCO)O |
Product Overview
Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)- (CAS 19971-97-2), with molecular formula C16H26N6O4 and molecular weight 366.20154 g/mol. IUPAC: 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione.
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