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CAS 5868-06-4

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8-Azoniabicyclo[3.2.1]octane, 8-(2-[1,1′-biphenyl]-4-yl-2-oxoethyl)-3-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-, bromide, (3-endo,8-anti)-

Description:
8-Azoniabicyclo[3.2.1]octane, 8-(2-[1,1′-biphenyl]-4-yl-2-oxoethyl)-3-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-, bromide, (3-endo,8-anti)-, is a complex organic compound characterized by its bicyclic structure and quaternary ammonium nature due to the presence of the azonium group. This compound features multiple functional groups, including a biphenyl moiety and a hydroxy ketone, which contribute to its potential reactivity and solubility properties. The bromide ion serves as a counterion, influencing the compound's ionic characteristics and stability in solution. Its stereochemistry, indicated by the (3-endo,8-anti) designation, suggests specific spatial arrangements of substituents that may affect its biological activity and interactions with other molecules. This compound may be of interest in medicinal chemistry and materials science due to its unique structural features and potential applications in drug development or as a synthetic intermediate. However, detailed studies on its properties, such as solubility, stability, and biological activity, would be necessary to fully understand its utility.
Formula:C31H34NO4·Br
InChI:InChI=1S/C31H34NO4.BrH/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24;/h2-15,26-29,33H,16-21H2,1H3;1H/q+1;/p-1
InChI key:InChIKey=MPLNGQBULSHWQW-UHFFFAOYSA-M
SMILES:C(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3(C)C4CC(OC(C(CO)C5=CC=CC=C5)=O)CC3CC4.[Br-]
Synonyms:
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-(p-phenylphenacyl)-, bromide, (-)-tropate
  • 8-Azoniabicyclo[3.2.1]octane, 8-(2-[1,1′-biphenyl]-4-yl-2-oxoethyl)-3-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-, bromide, (3-endo,8-anti)-
  • 8-Azoniabicyclo[3.2.1]octane, 8-(2-[1,1′-biphenyl]-4-yl-2-oxoethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, bromide, [3(S)-endo,anti]-
  • 8-(p-Phenylphenacyl)hyoscyaminium bromide
  • Tropic acid, (-)-, ester with 3α-hydroxy-8-(p-phenylphenacyl)-1αH,5αH-tropanium bromide
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