N-830
[8-[(4-cyclohexylphenyl)methyl]-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide
Also Known As: N 830|N-830|8-(p-Cyclohexylbenzyl)-8-ethylnortropinium bromide benzoate|8-Azoniabicyclo(3.2.1)heptane, 3-(benzoyloxy)-8-((4-cyclohexylphenyl)methyl)-8-ethyl-, bromide, endo-|8-(p-Cyclohexylbenzyl)-8-ethylnortropinium bromide benzoate (7CI)|[8-[(4-cyclohexylphenyl)methyl]-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide|3-(Benzoyloxy)-8-[(4-cyclohexylphenyl)methyl]-8-ethyl-8-azabicyclo[3.2.1]octan-8-ium bromide
| Molecular Formula | C29H38BrNO2 |
|---|---|
| Molecular Weight | 511.2086 g/mol |
| LogP | 3.6254 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.2086 |
| Monoisotopic Mass | 511.2086 |
| Heavy Atoms | 33 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 3564-48-5 |
|---|---|
| SMILES | CC[N+]1(C2CCC1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCCC5.[Br-] |
| InChIKey | SBDYZGZFLBAYGI-UHFFFAOYSA-M |
Product Overview
N-830 (CAS 3564-48-5), with molecular formula C29H38BrNO2 and molecular weight 511.2086 g/mol. IUPAC: [8-[(4-cyclohexylphenyl)methyl]-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide.
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