Apohyoscine
[(2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
Also Known As: Apohyoscine|Aposcopolamine|alpha-Methylenebenzeneacetic acid|[(2S,4R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate|1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester)|[(2R,4S)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate|[(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenyl-propanoate
CAS: 535-26-2
| Molecular Formula | C17H19NO3 |
|---|---|
| Molecular Weight | 285.1365 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.1365 |
| Monoisotopic Mass | 285.1365 |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 535-26-2 |
|---|---|
| SMILES | CN1C2CC(CC1[C@@H]3[C@H]2O3)OC(=O)C(=C)C4=CC=CC=C4 |
| InChIKey | JJNVDCBKBUSUII-SVFSVNPNSA-N |
Product Overview
Apohyoscine (CAS 535-26-2), with molecular formula C17H19NO3 and molecular weight 285.1365 g/mol. IUPAC: [(2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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