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: C₁₉H₂₄N₂O·ClH

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: Cl.O=C1C2=CC=CC3=C2C(CN1C4CN5CCC4CC5)CCC3

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)

Palonosetron Related Compound C ((S)-2-[(3R)-Quinuclidin-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride)

CAS: 135729-76-9

Lactams, nesoi

• Formula: C₁₉H₂₄N₂O·HCl
• Color and Shape: Off-White White Pale Yellow Solid
• Molecular weight: 332.16554

(S,R)-Palonosetron Hydrochloride

CAS: 135729-76-9

• Formula: C₁₉H₂₅ClN₂O
• Purity: 95%+
• Color and Shape: Solid
• Molecular weight: 332.8676

Palonosetron USP Related Compound C ((S,R)-Palonosetron HCl)

CAS: 135729-76-9

• Formula: C₁₉H₂₄N₂O·HCl
• Color and Shape: Off-White Solid
• Molecular weight: 296.41 36.46

(S,R)-Palonosetron Hydrochloride Contains up to ~35% (R,R)-isomer

CAS: 135729-76-9

Stability Hygroscopic Applications The (S,R)-enantiomer of Palonosetron (P165800), a potent and selective antagonist, with 5-HT3 …

• Formula: C₁₉H₂₄N₂O·ClH
• Color and Shape: Neat
• Molecular weight: 332.87

(S,R)-Palonosetron hydrochloride

CAS: 135729-76-9

Serotonin receptor 5-HT3 antagonist

• Formula: C₁₉H₂₅ClN₂O
• Purity: Min. 95%
• Molecular weight: 332.87 g/mol