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

Base Information

• Chemical Name: 3-Hydroxy-8-pentyl-1-alpha-H,5-alpha-H-tropanium bromide benzilate
• CAS No.: 74051-35-7
• Molecular Formula: C27H36BrNO3
• Molecular Weight: 502.4836
• DSSTox Substance ID: DTXSID30995495

Synonyms:3-Hydroxy-8-pentyl-1-alpha-H,5-alpha-H-tropanium bromide benzilate;74051-35-7;1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-pentyl-, bromide, benzilate;C27H36NO3.Br;DTXSID30995495;LS-157897;3-{[Hydroxy(diphenyl)acetyl]oxy}-8-methyl-8-pentyl-8-azabicyclo[3.2.1]octan-8-ium bromide;8-Azoniabicyclo[3.2.1]octane, 3-[(hydroxydiphenylacetyl)oxy]-8-methyl-8-pentyl-, bromide

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

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 501.18786
• Heavy Atom Count: 32
• Complexity: 561

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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