Theophylline, 7-(4-(4-(p-fluorophenyl)-1-piperazinyl)butyl)-, dihydrochloride
7-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride
Also Known As: Theophylline, 7-(4-(4-(p-fluorophenyl)-1-piperazinyl)butyl)-, dihydrochloride|7-(4-(4-(p-Fluorophenyl)-1-piperazinyl)butyl)theophylline, dihydrochloride|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(4-(4-(4-fluorophenyl)-1-piperazinyl)butyl)-,|7-(4-(4-(p-Fluorophenyl)piperazinyl-(1))-n-butyl)-theophyllin dihydrochlorid [German]|7-(4-(4-(p-Fluorophenyl)piperazinyl-(1))-n-butyl)-theophyllin dihydrochlorid|7-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione dihydrochloride|7-{4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/2)
| Molecular Formula | C21H29Cl2FN6O2 |
|---|---|
| Molecular Weight | 486.1713 g/mol |
| LogP | 2.0188 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.1713 |
| Monoisotopic Mass | 486.1713 |
| Heavy Atoms | 32 |
| Complexity | 1150.0367 |
Chemical Identifiers
| CAS Number | 81996-58-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCN(CC3)C4=CC=C(C=C4)F.Cl.Cl |
Product Overview
Theophylline, 7-(4-(4-(p-fluorophenyl)-1-piperazinyl)butyl)-, dihydrochloride (CAS 81996-58-9), with molecular formula C21H29Cl2FN6O2 and molecular weight 486.1713 g/mol. IUPAC: 7-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride.
Theophylline, 7-(4-(4-(p-fluorophenyl)-1-piperazinyl)butyl)-, dihydrochloride is a custom synthesis product. We offer services from milligram to kilogram scale.
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