7-(beta-Hydroxy-gamma-benzylpiperazinopropyl)theophylline
7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione
Also Known As: HBPPT|7-(beta-Hydroxy-gamma-benzylpiperazinopropyl)theophylline|Theophylline, 7-(3-(4-benzyl-1-piperazinyl)-2-hydroxypropyl)-|5-26-14-00058 (Beilstein Handbook Reference)|7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione|1-Piperazineethanol, 4-benzyl-alpha-(1,3-dimethyl-7-xanthinylmethyl)-|1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxy-3-(4-(phenylmethyl)-1-piperazinyl)propyl)-1,3-dimethyl-|3,7-Dihydro-7-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1,3-dimethyl-1H-purine-2,6-dione|7-[2-Hydroxy-4-phenyl-3-(piperazin-1-yl)butyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H28N6O3 |
|---|---|
| Molecular Weight | 412.2223 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.2223 |
| Monoisotopic Mass | 412.2223 |
| Heavy Atoms | 30 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 19971-94-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C(CC3=CC=CC=C3)N4CCNCC4)O |
| InChIKey | YLYYYPPNTJHUJD-UHFFFAOYSA-N |
Product Overview
7-(beta-Hydroxy-gamma-benzylpiperazinopropyl)theophylline (CAS 19971-94-9), with molecular formula C21H28N6O3 and molecular weight 412.2223 g/mol. IUPAC: 7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione.
7-(beta-Hydroxy-gamma-benzylpiperazinopropyl)theophylline is a custom synthesis product. We offer services from milligram to kilogram scale.
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