CAS 813425-83-1

(3aS)-2-[(3S)-1-oxidoquinuclidin-1-ium-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one

Description:

The chemical substance with the name "(3aS)-2-[(3S)-1-oxidoquinuclidin-1-ium-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one" and CAS number "813425-83-1" is a complex organic compound characterized by its unique structural features, including a benzoisoquinoline core and a quinuclidine moiety. This compound exhibits properties typical of quaternary ammonium compounds, such as potential cationic behavior due to the presence of a positively charged nitrogen atom. Its structure suggests it may have biological activity, possibly interacting with neurotransmitter systems or serving as a pharmacological agent. The presence of the oxido group indicates it may participate in redox reactions or serve as a reactive site in biological systems. Additionally, the stereochemistry of the compound, particularly the specific configurations at the chiral centers, may influence its biological activity and interactions with receptors or enzymes. Overall, this compound's intricate structure and functional groups suggest a potential for diverse applications in medicinal chemistry and pharmacology.

Formula: C₁₉H₂₄N₂O₂

InChI: InChI=1/C19H24N2O2/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-20(19)17-12-21(23)9-7-13(17)8-10-21/h2,4,6,13,15,17H,1,3,5,7-12H2/t13?,15-,17-,21?/m1/s1

SMILES: C1Cc2cccc3c2[C@H](C1)CN([C@@H]1CN2(=O)CCC1CC2)C3=O

Synonyms:

• Palonosetron N-Oxide

Palonosetron Related Compound A ((3aS)-1-Oxo-2-[(3S)-quinuclidin-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinoline 1-oxide)

CAS: 813425-83-1

Lactams not elsewhere specified or included

Formula: C₁₉H₂₄N₂O₂

Color and Shape: White Solid

Molecular weight: 312.18378

Ref: 45-1492222

Palonosetron N-oxide

CAS: 813425-83-1

Formula: C₁₉H₂₄N₂O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 312.4061

Ref: IN-DA0059QT

Palonosetron USP Related Compound A (Palonosetron N-Oxide)

CAS: 813425-83-1

Formula: C₁₉H₂₄N₂O₂

Color and Shape: White To Off-White Solid

Molecular weight: 312.41

Ref: 4Z-P-533

Palonosetron N-oxide

CAS: 813425-83-1

Palonosetron N-oxide: metabolite and potential impurity of 5-HT3 antagonist palonosetron; forms under oxidative stress.

Formula: C₁₉H₂₄N₂O₂

Color and Shape: Solid

Molecular weight: 312.413

Ref: TM-T37246

Palonosetron N-oxide

CAS: 813425-83-1

Palonosetron N-oxide

Purity: 98%

Ref: 54-OR1037291

Palonosetron USP Related Compound A

CAS: 813425-83-1

Formula: C₁₉H₂₄N₂O₂

Molecular weight: 312.41

Ref: ST-EA-CP-P14001

Palonosetron N-Oxide

Controlled Product

CAS: 813425-83-1

Applications A metabolite of Palonosetron (P165800).
References Stoltz, R., et al.: Biopharm., Drug Disposition, 25, 329 (2004), Stoltz, R., et al.: J. Clin. Pharmacol., 44, 520 (2004),

Formula: C₁₉H₂₄N₂O₂

Purity: >90%

Color and Shape: Neat

Molecular weight: 312.41

Ref: TR-P165815

Palonosetron N-oxide

CAS: 813425-83-1

Palonosetron N-oxide is a n-oxide of palonosetron that was synthesized by reacting the drug with nitric acid. It is an impurity in the synthesis of palonosetron, which is used to treat severe nausea and vomiting. The solvents used in this reaction are dimethylsulfoxide (DMSO) and water. The parameters involved were temperature, time, and concentration. Impurities were detected using thin-layer chromatography (TLC), high-performance liquid chromatography (HPLC), and mass spectrometry (MS). The chemical structure of Palonosetron N-oxide is shown below: The equation for the synthesis of Palonosetron N-oxide is as follows: 2PALONOSETRON + HNO3 → PN-OXIDE + 2H2O+NOx

Formula: C₁₉H₂₄N₂O₂

Purity: Min. 95%

Molecular weight: 312.41 g/mol

Ref: 3D-FP26742