8-Pentyltheophylline
1,3-dimethyl-8-pentyl-7H-purine-2,6-dione
Also Known As: 8-Pentyltheophylline|8-pentyl-theophylline|8-Pentyltheophyline|Theophylline, 8-pentyl-|Xanthine, 1,3-dimethyl-8-pentyl-|KST-1B3668|1,3-dimethyl-8-pentyl-7H-purine-2,6-dione|1,3-dimethyl-8-pentyl-3,7-dihydro-1h-purine-2,6-dione|3,7-Dihydro-1,3-dimethyl-8-pentyl-1H-purine-2,6-dione|1,3-Dimethyl-8-pentyl-1H-purine-2,6(3H,7H)-dione|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-pentyl-|AE-641/11700078|1,3-dimethyl-8-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3,7-dihydro-1,2-dimethyl-8-pentyl-1H-purine-2,6-dione|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-pentyl- (9CI)
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14297 g/mol |
| LogP | 0.69 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 677.7 |
Chemical Identifiers
| CAS Number | 35873-41-7 |
|---|---|
| SMILES | CCCCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
Product Overview
8-Pentyltheophylline (CAS 35873-41-7), with molecular formula C12H18N4O2 and molecular weight 250.14297 g/mol. IUPAC: 1,3-dimethyl-8-pentyl-7H-purine-2,6-dione.
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