3-Hydroxy-1-methyl-quinuclidinium iodide 2-hydroxymethyl-2-phenyl butyrate (ester)

Base Information

• Chemical Name: 3-Hydroxy-1-methyl-quinuclidinium iodide 2-hydroxymethyl-2-phenyl butyrate (ester)
• CAS No.: 102338-74-9
• Molecular Formula: C19H28 N O3 . I
• ChEMBL ID: CHEMBL1361245
• DSSTox Substance ID: DTXSID90907377
• Mol file: 102338-74-9.mol

Synonyms:102338-74-9;3-Hydroxy-1-methyl-quinuclidinium iodide 2-hydroxymethyl-2-phenyl butyrate (ester);Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-hydroxymethyl-2-phenyl butyrate (ester);(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-(hydroxymethyl)-2-phenylbutanoate;iodide;MLS000693647;CHEMBL1361245;DTXSID90907377;HMS2656M20;AKOS024418800;SMR000285439;3-{[2-(Hydroxymethyl)-2-phenylbutanoyl]oxy}-1-methyl-1-azabicyclo[2.2.2]octan-1-ium iodide

Chemical Property of 3-Hydroxy-1-methyl-quinuclidinium iodide 2-hydroxymethyl-2-phenyl butyrate (ester)

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 445.11139
• Heavy Atom Count: 24
• Complexity: 424

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CO)(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)C.[I-]

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