Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride
1,3-dimethyl-7-[2-(2-phenylethylamino)ethyl]purine-2,6-dione;hydrochloride
Also Known As: beta-PT|7-(2-(Phenethylamino)ethyl)theophylline hydrochloride|Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride|7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid|7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid [German]|1,3-dimethyl-7-[2-(2-phenylethylamino)ethyl]purine-2,6-dione|Theophylline, 7-[2-(phenethylamino)ethyl]-, monohydrochloride|1,3-dimethyl-7-[2-(phenethylamino)ethyl]purine-2,6-dione hydrochloride|1,3-Dimethyl-7-{2-[(2-phenylethyl)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
| Molecular Formula | C17H22ClN5O2 |
|---|---|
| Molecular Weight | 363.1462 g/mol |
| LogP | 0.69 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.1462 |
| Heavy Atoms | 25 |
| Complexity | 958.8 |
Chemical Identifiers
| CAS Number | 1239-54-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CC=CC=C3.Cl |
Product Overview
Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride (CAS 1239-54-9), with molecular formula C17H22ClN5O2 and molecular weight 363.1462 g/mol. IUPAC: 1,3-dimethyl-7-[2-(2-phenylethylamino)ethyl]purine-2,6-dione;hydrochloride.
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