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CAS 155418-05-6

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1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane

Description:
The chemical substance known as "1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane," with the CAS number 155418-05-6, is a complex organic compound characterized by its bicyclic structure and multiple functional groups. It features a piperidine ring, which is often associated with various biological activities, and incorporates a quaternary ammonium group, indicating its potential as a charged species in solution. The presence of dichlorophenyl and methylethoxyphenyl moieties suggests that the compound may exhibit significant lipophilicity, potentially influencing its pharmacokinetic properties. Additionally, the stereochemistry indicated by the (3S) configuration may play a crucial role in its biological interactions and efficacy. This compound is likely to be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific receptors or pathways due to its structural complexity and potential bioactivity. However, detailed studies would be necessary to fully elucidate its properties and applications.
Formula:C37H45Cl2N2O2
InChI:InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1
InChI key:InChIKey=RPDFDSQFBCJTDY-GAQXSTBRSA-N
SMILES:C(C[C@]1(CN(C(CC2=CC(OC(C)C)=CC=C2)=O)CCC1)C3=CC(Cl)=C(Cl)C=C3)[N+]45CCC(CC4)(CC5)C6=CC=CC=C6
Synonyms:
  • 1-Azoniabicyclo[2.2.2]octane, 1-[2-[(3S)-3-(3,4-dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-
  • 1-Azoniabicyclo[2.2.2]octane, 1-[2-[3-(3,4-dichlorophenyl)-1-[[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-, (S)-
  • 1-Azoniabicyclo[2.2.2]octane, 1-[2-[(3S)-3-(3,4-dichlorophenyl)-1-[[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-
  • SR 140333
  • 1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane
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