1H-Purine-2,6-dione, 3,7-dihydro-7-(4-chlorophenyl)-1,3-dimethyl-
7-(4-chlorophenyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(4-Clorofenil)teofillina|Theophylline, 7-(p-chlorophenyl)-|7-(4-Clorofenil)teofillina [Italian]|1H-Purine-2,6-dione, 3,7-dihydro-7-(4-chlorophenyl)-1,3-dimethyl-|5-26-13-00566 (Beilstein Handbook Reference)|7-(4-chlorophenyl)-1,3-dimethylpurine-2,6-dione|3,7-Dihydro-7-(4-chlorophenyl)-1,3-dimethyl-1H-purine-2,6-dione|7-(4-chlorophenyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
CAS: 56502-01-3
| Molecular Formula | C13H11ClN4O2 |
|---|---|
| Molecular Weight | 290.05707 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.05707 |
| Monoisotopic Mass | 290.05707 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 56502-01-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=C(C=C3)Cl |
| InChIKey | XYPIWKDJAGSOLC-UHFFFAOYSA-N |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-7-(4-chlorophenyl)-1,3-dimethyl- (CAS 56502-01-3), with molecular formula C13H11ClN4O2 and molecular weight 290.05707 g/mol. IUPAC: 7-(4-chlorophenyl)-1,3-dimethylpurine-2,6-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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