Methylatropine structure

Methylatropine

[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate

Also Known As: Methylatropine|N-Methylatropine|Methylatropinium|Atropine methobromide|Atropine methonitrate|methylatropine-nitrate|Lopac-A-6883|8-Methylatropinium nitrate|NCIStruc1_001069|NCIStruc2_001378|METHYLATROPINE NITRATE|NCGC00015080-01|NCGC00015080-02|NCGC00015080-03|(3(R)-endo)-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-8-azoniabicyclo(3.2.1)octane|(1R,3R,5S)-3-{[(2R)-3-hydroxy-2-phenylpropanoyl]oxy}-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium|8-Azoniabicyclo(3.2.1)octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3(R)-endo)-|(1beta,3alpha,5beta)-3-[[(R)-3-Hydroxy-1-oxo-2-phenylpropyl]oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane|(1R,5S)-3alpha-[(R)-3-Hydroxy-1-oxo-2-phenylpropoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane|(2R)-3-hydroxy-2-phenyl-propionic acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester;iodide|(2R)-3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester;iodide|(3-endo)-3-[(2R)-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] (2R)-3-hydroxy-2-phenylpropanoate|[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate;iodide|[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-3-oxidanyl-2-phenyl-propanoate;iodide|[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate

CAS: 57-69-2
Molecular Formula C18H26NO3+
Molecular Weight 304.19125 g/mol
LogP 2.0755
Topological Polar Surface Area 46.53 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 4
Exact Mass 304.19125
Monoisotopic Mass 304.19125
Heavy Atoms 22
Complexity 512.3936

Chemical Identifiers

CAS Number 57-69-2
SMILES C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H](CO)C3=CC=CC=C3)C

Product Overview

Methylatropine (CAS 57-69-2), 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] (2R)-3-hydroxy-2-phenylpropanoate.

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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.
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