C28H36NO2.Br
[(1S,5R)-8-[(4-cyclohexylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide
Also Known As: KST-1A0579|N 718|N718|8-(p-Cyclohexylbenzyl)-8-methylnortropinium bromide benzoate|8-Azoniabicyclo(3.2.1)octane, 3-(benzoyloxy)-8-((4-cyclohexylphenyl)methyl)-8-methyl-, bromide, (endo,syn)-|(1r,5s)-3-(benzoyloxy)-8-(4-cyclohexylbenzyl)-8-methyl-8-azoniabicyclo[3.2.1]octane bromide|1-alpha-H,5-alpha-H-Tropanium, 8-(p-cyclohexylbenzyl)-3-alpha-hydroxy-, bromide, benzoate
| Molecular Formula | C28H36BrNO2 |
|---|---|
| Molecular Weight | 497.19293 g/mol |
| LogP | 3.24 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.19293 |
| Heavy Atoms | 32 |
| Complexity | 877.4 |
Chemical Identifiers
| CAS Number | 1107-17-1 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCCC5.[Br-] |
Product Overview
C28H36NO2.Br (CAS 1107-17-1), with molecular formula C28H36BrNO2 and molecular weight 497.19293 g/mol. IUPAC: [(1S,5R)-8-[(4-cyclohexylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide.
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