N-Methylatropine

Base Information

• Chemical Name: N-Methylatropine
• CAS No.: 57-69-2
• Molecular Formula: C18H26NO3
• Molecular Weight: 304.40394
• DSSTox Substance ID: DTXSID001121449
• Wikipedia: Methylatropine
• ChEMBL ID: CHEMBL3349294,CHEMBL1433395
• Mol file: 57-69-2.mol

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 N-Methylatropine

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:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C
• Isomeric SMILES: C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H](CO)C3=CC=CC=C3)C