Theophylline, 8-(o-chloroanilino)-
8-(2-chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-(o-Chloroanilino)theophylline|Theophylline, 8-(o-chloroanilino)-|8-(o-Chlorophenylamino)theophylline|8-(2-chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione|1H-Purine-2,6-dione, 8-((2-chlorophenyl)amino)-3,7-dihydro-1,3-dimethyl-|8-[(2-chlorophenyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|8-(1-ethyl-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione|8-(2-Chloroanilino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1H-Purine-2, 8-[(2-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-|8-[(2-Chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione|8-[(2-Chlorophenyl)amino]-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione|1H-Purine-2,6-dione, 8-((2-chlorophenyl)amino)-3,7-dihydro-1,3-dimethyl-(9CI)|1H-Purine-2,6-dione, 8-[(2-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 8-[(2-chlorophenyl)amino]-3,9-dihydro-1,3-dimethyl-|8-[(2-chlorophenyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C13H12ClN5O2 |
|---|---|
| Molecular Weight | 305.06796 g/mol |
| LogP | 1.36 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.06796 |
| Heavy Atoms | 21 |
| Complexity | 953.3 |
Chemical Identifiers
| CAS Number | 5429-34-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3Cl |
Product Overview
Theophylline, 8-(o-chloroanilino)- (CAS 5429-34-5), with molecular formula C13H12ClN5O2 and molecular weight 305.06796 g/mol. IUPAC: 8-(2-chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione.
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