8,8'-Ethyleneditheophylline
8-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8,8'-Ethylenebistheophylline|Theophylline, 8,8'-ethylenebis-|8,8'-Ethyleneditheophylline|8,8/'-Ethylenebistheophyline|8,8'-Dimethylene-bis-theophylline|Theophylline,8'-ethylenebis-|8,8/'-Ethylenebistheophylline|8,8 -Ethylenebistheophyline|8,8'-Dimethylenebistheophylline|1,2-bis(theophyllin-8-yl)ethane|8-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione|1H-Purine-2,6-dione, 8,8'-(1,2-ethanediyl)bis(3,7-dihydro-1,3-dimethyl-|8,8'-ethane-1,2-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione)|8-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]-1,3-dimeth|1H-Purine-2, 8,8'-(1,2-ethanediyl)bis[3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 8,8'-(1,2-ethanediyl)bis[3,7-dihydro-1,3-dimethyl-|8,8'-(Ethane-1,2-diyl)bis(1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)|8-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H18N8O4 |
|---|---|
| Molecular Weight | 386.1451 g/mol |
| LogP | -1.98 |
| Topological Polar Surface Area | 145.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1451 |
| Heavy Atoms | 28 |
| Complexity | 1376.1 |
Chemical Identifiers
| CAS Number | 1784-67-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C |
Product Overview
8,8'-Ethyleneditheophylline (CAS 1784-67-4), with molecular formula C16H18N8O4 and molecular weight 386.1451 g/mol. IUPAC: 8-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione.
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