(8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
(8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
Also Known As: Phenactropinium, PHENACTROPINIUM CHLORIDE, J82.060A, (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]oct-3-yl) 2-hydroxy-2-phenyl-acetate, (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate, 3-[Hydroxy(phenyl)acetoxy]-8-methyl-8-(2-oxo-2-phenylethyl)-8-azoniabicyclo[3.2.1]octane, 3-[(2-hydroxy-2-phenylacetyl)oxy]-8-methyl-8-(2-oxo-2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-ium, 3-{[hydroxy(phenyl)acetyl]oxy}-8-methyl-8-(2-oxo-2-phenylethyl)-8-azoniabicyclo[3.2.1]octane, 8-Azoniabicyclo(3.2.1)octane, 3-((hydroxyphenylacetyl)oxy)-8-methyl-8-(2-oxo-2-phenylethyl)-, (3-exo)-
| Molecular Formula | C24H28NO4+ |
|---|---|
| Molecular Weight | 394.20184 g/mol |
| LogP | 3.29 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.20184 |
| Heavy Atoms | 29 |
| Complexity | 853 |
Chemical Identifiers
| CAS Number | 697214-89-4 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC(=O)C4=CC=CC=C4 |
Product Overview
(8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate (CAS 697214-89-4), with molecular formula C24H28NO4+ and molecular weight 394.20184 g/mol. IUPAC: (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate.
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