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CAS 58073-59-9

:

8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide (1:1), (3-endo,8-anti)-

Description:
8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide (1:1), (3-endo,8-anti)- is a quaternary ammonium compound characterized by its bicyclic structure and the presence of a bromide ion as a counterion. This compound features a bicyclo[3.2.1]octane core, which contributes to its unique three-dimensional shape and steric properties. The presence of the hydroxy and phenyl groups indicates potential for hydrogen bonding and aromatic interactions, which may influence its solubility and reactivity. The methyl and isopropyl substituents on the nitrogen atom enhance its lipophilicity, potentially affecting its biological activity and membrane permeability. As a quaternary ammonium salt, it is likely to exhibit cationic properties, making it useful in various applications, including as a surfactant or in drug delivery systems. The specific stereochemistry (3-endo, 8-anti) suggests a defined spatial arrangement that may play a critical role in its interactions with biological targets. Overall, this compound's unique structural features may confer specific pharmacological properties, warranting further investigation.
Formula:C20H30NO3·Br
InChI:InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21-;
InChI key:InChIKey=LHLMOSXCXGLMMN-QSCOGLFNNA-M
SMILES:[C@H](C)(C)[N@+]1(C)[C@]2(C[C@H](OC(C(CO)C3=CC=CC=C3)=O)C[C@@]1(CC2)[H])[H].[Br-]
Synonyms:
  • (endo,Anti)-(1)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo(3.2.1)octane bromide
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide (1:1), (3-endo,8-anti)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, (3-endo,8-anti)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, (endo,anti)-
  • Sch 1178
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