Theophylline, 7-isopentyl-
1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: 7-Isoamyltheophylline|7-Isopentyltheophylline|Theophylline, 7-isopentyl-|Etilfelmin hydrochloride|ChemDiv2_004603|1,3-dimethyl-7-isoamylxanthin|1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione|SDCCGMLS-0064445.P001|IDI1_003318|1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione|7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(3-methylbutyl)-|1,3-dimethyl-7-(3-methylbutyl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14297 g/mol |
| LogP | 0.48 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 690.4 |
Chemical Identifiers
| CAS Number | 1146-79-8 |
|---|---|
| SMILES | CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
Theophylline, 7-isopentyl- (CAS 1146-79-8), with molecular formula C12H18N4O2 and molecular weight 250.14297 g/mol. IUPAC: 1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione.
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