3-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide benzilate

Base Information

• Chemical Name: 3-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide benzilate
• CAS No.: 74051-31-3
• Molecular Formula: C23H28BrNO3
• Molecular Weight: 446.3773
• DSSTox Substance ID: DTXSID90995491

Synonyms:3-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide benzilate;74051-31-3;1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-methyl-, bromide, benzilate;DTXSID90995491;LS-157871;3-{[Hydroxy(diphenyl)acetyl]oxy}-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromide;8-Azoniabicyclo[3.2.1]octane, 3-[(hydroxydiphenylacetyl)oxy]-8,8-dimethyl-, bromide

Chemical Property of 3-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide benzilate

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 445.12526
• Heavy Atom Count: 28
• Complexity: 500

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]

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