AC1MIIBS
6-butyl-4-methyl-7-phenyl-8-(piperidin-1-ylmethyl)purino[7,8-a]imidazole-1,3-dione;hydrobromide
Also Known As: 1-n-Butyl-2-phenyl-3-N-piperidinomethyl-8-methylimidazo(1,2-f)xanthine hydrobromide|1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl-6-(piperidinomethyl)-, monohydrobromide|6-butyl-4-methyl-7-phenyl-8-(piperidin-1-ylmethyl)purino[7,8-a]imidazole-1,3-dione hydrobromide|8-Butyl-1-methyl-7-phenyl-6-[(piperidin-1-yl)methyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione--hydrogen bromide (1/1)
CAS: 85592-20-7
| Molecular Formula | C24H31BrN6O2 |
|---|---|
| Molecular Weight | 514.1692 g/mol |
| LogP | 3.7069 |
| Topological Polar Surface Area | 80.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.1692 |
| Monoisotopic Mass | 514.1692 |
| Heavy Atoms | 33 |
| Complexity | 1375.7183 |
Chemical Identifiers
| CAS Number | 85592-20-7 |
|---|---|
| SMILES | CCCCN1C(=C(N2C1=NC3=C2C(=O)NC(=O)N3C)CN4CCCCC4)C5=CC=CC=C5.Br |
Product Overview
AC1MIIBS (CAS 85592-20-7), with molecular formula C24H31BrN6O2 and molecular weight 514.1692 g/mol. IUPAC: 6-butyl-4-methyl-7-phenyl-8-(piperidin-1-ylmethyl)purino[7,8-a]imidazole-1,3-dione;hydrobromide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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