AC1MII7M
3-(2,6-dichlorophenyl)-2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-1,1-dimethylguanidine
Also Known As: Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride|7-(2-(2-(2,6-Dichlorophenyl)-3,3-dimethylguanidino)ethyl)theophylline hydrochloride|N,N-Dimethyl-N'-(beta-(theophyllinyl-7)ethyl)-N''-(2,6-dichlorophenyl)guanidine hcl|3-(2,6-dichlorophenyl)-2-[2-(1,3-dimethyl-2,6-dioxopurin-7-y|3-(2,6-dichlorophenyl)-2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-1,1-dimethylguanidine|Theophylline,7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-,hydrochloride|N'-(2,6-Dichlorophenyl)-N''-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]-N,N-dimethylguanidine
| Molecular Formula | C18H21Cl2N7O2 |
|---|---|
| Molecular Weight | 437.11337 g/mol |
| LogP | 1.7702 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.11337 |
| Monoisotopic Mass | 437.11337 |
| Heavy Atoms | 29 |
| Complexity | 1187.1156 |
Chemical Identifiers
| CAS Number | 85461-01-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN=C(NC3=C(C=CC=C3Cl)Cl)N(C)C |
Product Overview
AC1MII7M (CAS 85461-01-4), with molecular formula C18H21Cl2N7O2 and molecular weight 437.11337 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-1,1-dimethylguanidine.