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CAS 38971-12-9

:

(3-endo)-8-([1,1′-Biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo[3.2.1]octane

Description:
The chemical substance known as (3-endo)-8-([1,1′-Biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo[3.2.1]octane, with the CAS number 38971-12-9, is a complex organic compound characterized by its bicyclic structure, which includes a quaternary ammonium group. This compound features multiple functional groups, including a hydroxy group and an oxo group, contributing to its potential reactivity and solubility properties. The presence of the biphenyl moiety suggests possible applications in organic synthesis or as a ligand in coordination chemistry. Additionally, the bicyclic framework may impart unique steric and electronic properties, making it of interest in medicinal chemistry or material science. Its azabicyclo structure indicates that it may exhibit interesting biological activities, potentially acting as a neurotransmitter or receptor modulator. Overall, this compound's intricate structure and functional diversity make it a subject of interest for further research in various chemical and pharmaceutical applications.
Formula:C30H34NO3
InChI:InChI=1/C30H34NO3/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/q+1/t26-,27+,28+,29?,31?
InChI key:InChIKey=QDCILXFPWMMNQY-DNYGJFJUNA-N
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
Synonyms:
  • Xenytropium
  • (3-endo)-8-([1,1′-Biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo[3.2.1]octane
  • 8-Azoniabicyclo[3.2.1]octane, 8-([1,1′-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, (3-endo)-
  • 8-(p-Phenylbenzyl)atropine
  • 8-Azoniabicyclo[3.2.1]octane, 8-([1,1′-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, endo-(±)-
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