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CAS 511-55-7

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8-Azoniabicyclo[3.2.1]octane, 8-([1,1′-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, bromide (1:1), (3-endo)-

Description:
8-Azoniabicyclo[3.2.1]octane, 8-([1,1′-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, bromide (1:1), (3-endo)-, commonly referred to by its CAS number 511-55-7, is a quaternary ammonium compound characterized by its bicyclic structure and the presence of a positively charged nitrogen atom. This compound features a complex molecular architecture that includes a biphenyl moiety and a phenylpropoxy group, contributing to its unique chemical properties. The bromide ion serves as the counterion, stabilizing the cationic form of the molecule. Its structural features suggest potential applications in various fields, including organic synthesis and medicinal chemistry, particularly due to its ability to interact with biological systems. The presence of hydroxyl and carbonyl functional groups indicates potential for hydrogen bonding and reactivity, which may influence its solubility and interaction with other chemical species. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical behavior, making it a subject of interest in advanced chemical research.
Formula:C30H34NO3·Br
InChI:InChI=1/C30H34NO3.BrH/c1-31(20-22-12-14-24(15-13-22)23-8-4-2-5-9-23)26-16-17-27(31)19-28(18-26)34-30(33)29(21-32)25-10-6-3-7-11-25;/h2-15,26-29,32H,16-21H2,1H3;1H/q+1;/p-1/t26-,27+,28+,29?,31?;
InChI key:InChIKey=KDXSSNBFSJKQMR-JWKFFUIZNA-M
SMILES:C([N+]1(C)[C@]2(C[C@H](OC(C(CO)C3=CC=CC=C3)=O)C[C@@]1(CC2)[H])[H])C4=CC=C(C=C4)C5=CC=CC=C5.[Br-]
Synonyms:
  • 8-Azoniabicyclo[3.2.1]octane, 8-([1,1′-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, bromide (1:1), (3-endo)-
  • 8-Azoniabicyclo[3.2.1]octane, 8-([1,1′-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, bromide, (3-endo)-
  • 8-Azoniabicyclo[3.2.1]octane, 8-([1,1′-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, bromide, endo-(±)-
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-(p-phenylbenzyl)-, bromide, (±)-tropate
  • 8-(biphenyl-4-ylmethyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
  • N-(biphenyl-4-ylmethyl)atropinium bromide
  • 8-(p-Phenylbenzyl)atropinium bromide
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