Methylatropine
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Also Known As: Methylatropine|(1R,3R,5S)-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium|(3-endo)-3-[(2S)-3-Hydroxy-1-oxo-2-phenylpropoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane|(1beta,3alpha,5beta)-3-[[(S)-3-Hydroxy-1-oxo-2-phenylpropyl]oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane|(1R,5S)-3alpha-[(S)-3-Hydroxy-1-oxo-2-phenylpropoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane|[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
| Molecular Formula | C18H26NO3+ |
|---|---|
| Molecular Weight | 304.19125 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.19125 |
| Monoisotopic Mass | 304.19125 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 68686-62-4 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3)C |
| InChIKey | PIPAJLPNWZMYQA-FCLJQHQZSA-N |
Product Overview
Methylatropine (CAS 68686-62-4), with molecular formula C18H26NO3+ and molecular weight 304.19125 g/mol. IUPAC: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate.
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