RefChem:227441
[8-methyl-8-[(4-octylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Also Known As: 8-(p-Octylbenzyl)atropinium bromide|Atropinium, 8-(p-octylbenzyl)-, bromide|N-724|1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-(p-octylbenzyl)-, bromide, (+-)-tropate|[8-methyl-8-[(4-octylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide|3-[(3-HYDROXY-2-PHENYLPROPANOYL)OXY]-8-METHYL-8-[(4-OCTYLPHENYL)METHYL]-8-AZABICYCLO[3.2.1]OCTAN-8-IUM BROMIDE|8-Azoniabicyclo[3.2.1]octane, 3-[[(hydroxymethyl)phenylacetyl]oxy]-8-methyl-8-[(4-octylphenyl)methyl]-, endo-(.+.)-
| Molecular Formula | C32H46BrNO3 |
|---|---|
| Molecular Weight | 571.2661 g/mol |
| LogP | 3.5529 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 571.2661 |
| Monoisotopic Mass | 571.2661 |
| Heavy Atoms | 37 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 4739-93-9 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] |
| InChIKey | JTCAYVYSBOXIMW-UHFFFAOYSA-M |
Product Overview
RefChem:227441 (CAS 4739-93-9), with molecular formula C32H46BrNO3 and molecular weight 571.2661 g/mol. IUPAC: [8-methyl-8-[(4-octylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
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