Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride
1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione;hydrochloride
Also Known As: H 814 [German]|H 814|7-(2-(Isopropyl-phenylamino)ethyl)theophylline hydrochloride|Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride|1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dio|1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione hydrochloride|1,3-Dimethyl-7-{2-[phenyl(propan-2-yl)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-[(1-methylethyl)phenylamino]ethyl]-, hydrochloride
| Molecular Formula | C18H24ClN5O2 |
|---|---|
| Molecular Weight | 377.16187 g/mol |
| LogP | 1.7705 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.16187 |
| Monoisotopic Mass | 377.16187 |
| Heavy Atoms | 26 |
| Complexity | 1004.07874 |
Chemical Identifiers
| CAS Number | 78280-45-2 |
|---|---|
| SMILES | CC(C)N(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3.Cl |
Product Overview
Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride (CAS 78280-45-2), with molecular formula C18H24ClN5O2 and molecular weight 377.16187 g/mol. IUPAC: 1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione;hydrochloride.