3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane

Base Information

• Chemical Name: 3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
• CAS No.: 6912-76-1
• Molecular Formula: C18H26NO3
• DSSTox Substance ID: DTXSID50858977
• Nikkaji Number: J238.075G
• Wikipedia: Methylatropine
• Wikidata: Q1176323
• ChEMBL ID: CHEMBL1179176

Synonyms:8-methylatropinium nitrate;atropine iodomethylate;atropine methonitrate;atropine methylbromide;methyl atropine;methylatropine;methylatropine bromide;methylatropine iodide;methylatropine iodide, (endo-(+-))-isomer;methylatropine iodide, (endo-3(R))-isomer;methylatropine iodide, (endo-3(S))-isomer;methylatropine iodide, 3H-labeled, (endo-(+-))-isomer;methylatropine nitrate;methylatropine nitrate, (endo-(+-))-isomer;methylatropine nitrite, (endo-(+-))-isomer;methylatropine sulfate (2:1), (endo-(+-))-isomer;methylatropine, endo-3(R)-isomer;methylatropine, endo-3(S)-isomer;N-methylatropine

Chemical Property of 3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 304.19126869
• Heavy Atom Count: 22
• Complexity: 387

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C

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