(R,S)Palonosetron hcl

Basic Information

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CAS Number

135755-51-0

Molecular Formula

C19H25ClN2O

Molecular Weight

332.87 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1CC2CN(C(=O)C3=C2C(=CC=C3)C1)C4CN5CCC4CC5.Cl

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

InChIKey

OLDRWYVIKMSFFB-UHFFFAOYSA-N

LogP

3.0783000000000027

Topological Polar Surface Area

23.550000000000004 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

(R,S)-Palonosetron Hydrochloride
(3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one,hydrochloride
(R,S)-Palonosetron H
(R,S)Palonosetron HCl
Aloxi
Palonosetron hydrochloride
(3aR)-2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one monohydrochloride
(3aR)-2-[(3S)-Quinuclidin-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
RS 25233-198
(R)-2-((S)-quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one
hydrochloride (1:1)

MDL Number

MFCD29058560

FAQ

What are the physical and chemical properties of (R,S)Palonosetron hydrochloride (CAS: 135755-51-0)?

(R,S)Palonosetron hydrochloride is a crystalline compound with a molecular weight of approximately 436.52 g/mol. It is sparingly soluble in water and ethanol, and practically insoluble in acetone. The compound is stable under normal conditions but may react with bases to form the free base. It has a pKa of 1.40.

How is (R,S)Palonosetron hydrochloride (CAS: 135755-51-0) typically synthesized?

(R,S)Palonosetron hydrochloride is synthesized through a multi-step process involving the synthesis of the 5-phenylpiperidine scaffold, followed by the attachment of the 5-(4-(2-(2-hydroxyethoxy)ethoxy)phenyl) substituent. The key steps include N-alkylation, ring closure, and final hydrochloride salt formation. The yield is typically around 75%, with good selectivity towards the desired enantiomer.

What industries use (R,S)Palonosetron hydrochloride (CAS: 135755-51-0)?

(R,S)Palonosetron hydrochloride is primarily used in the pharmaceutical industry for the prevention of chemotherapy-induced nausea and vomiting. It is also of interest in research for its analgesic and antiemetic properties. While not extensively used in other industries, it may have applications in polymer science and drug delivery systems.

What precautions should be taken when handling (R,S)Palonosetron hydrochloride (CAS: 135755-51-0)?

When handling (R,S)Palonosetron hydrochloride, it is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to avoid inhalation. Spills should be cleaned up using an appropriate absorbent material, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for the most up-to-date information on handling and storage guidelines.