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CAS 135729-76-9

:

(3aS)-2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one hydrochloride (1:1)

Description:
The chemical substance known as (3aS)-2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one hydrochloride (1:1), with the CAS number 135729-76-9, is a complex organic compound characterized by its bicyclic structure and the presence of a nitrogen atom within the bicyclic framework. This compound features a hexahydroisoquinoline moiety, which contributes to its potential biological activity. The hydrochloride salt form indicates that it is a protonated version of the base compound, enhancing its solubility in aqueous environments, which is often beneficial for pharmacological applications. The stereochemistry, denoted by the (3aS) and (3R) designations, suggests specific spatial arrangements of atoms that can significantly influence the compound's interaction with biological targets, such as receptors or enzymes. Overall, this substance may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development.
Formula:C19H25ClN2O
InChI:InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17+;/m1./s1
InChI key:InChIKey=OLDRWYVIKMSFFB-KALLACGZSA-N
SMILES:O=C1C2=C3[C@@](CN1[C@@H]4C5CCN(C4)CC5)(CCCC3=CC=C2)[H].Cl
Synonyms:
  • 1H-Benz[de]isoquinolin-1-one, 2-(3R)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, hydrochloride (1:1), (3aS)-
  • RS 25233-197
  • 1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-, monohydrochloride, [R-(R*,S*)]-
  • (3aS)-2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one hydrochloride (1:1)
  • (S,R)-Palonosetron
  • (S)-2-((R)-quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
  • [R-(R*,S*)]-2-(1-Azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one monohydrochloride
  • Palonosetron HydrochlorideDiastereomers(S.R)
  • (3aS)-2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one Hydrochloride
  • (S)-2-((1S,3R,4S)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
  • See more synonyms
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