Palonosetron

Base Information Edit

Chemical Name:Palonosetron
CAS No.:135729-56-5
Molecular Formula:C₁₉H₂₂N₂O
Molecular Weight:294.396
Hs Code.:
UNII:5D06587D6R
DSSTox Substance ID:DTXSID5048342
Nikkaji Number:J632.622F
Wikipedia:Palonosetron
Wikidata:Q419841
NCI Thesaurus Code:C61874
RXCUI:70561
Pharos Ligand ID:3YHPAZH6MUP1
Metabolomics Workbench ID:145120
ChEMBL ID:CHEMBL1189679
Mol file:135729-56-5.mol

Synonyms:1H-Benz[de]isoquinolin-1-one,2-(1-azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro-,(S)-;(S)-2-(1-Azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro-1H-benz[de]isoquinolin-1-one

Suppliers and Price of Palonosetron

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 17 raw suppliers

Chemical Property of Palonosetron Edit

Chemical Property:

Vapor Pressure:5.07E-09mmHg at 25°C
Boiling Point:470.4 ºC at 760 mmHg
PKA:9.77±0.33(Predicted)
Flash Point:209.5 ºC
PSA：23.55000
Density:1.27
LogP:2.53230
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:296.188863393
Heavy Atom Count:22
Complexity:456

Purity/Quality:: 99%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2CN(C(=O)C3=CC=CC(=C23)C1)C4CN5CCC4CC5
Isomeric SMILES:C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5
Recent ClinicalTrials:Efficacy and Safety of Intravenous Versus Oral 5-HT3 Antagonists Combined With NK-1 Receptor Antagonists for the Prevention of CINV in Breast Cancer
Recent EU Clinical Trials:Effects of postoperative palonosetron in ambulatory patients identified with high risk for postdischarge nausea and vomiting (PDNV) – a randomized controlled trial with comparison to placebo.
Recent NIPH Clinical Trials:A multicenter phase II trial of the triplet antiemetic therapy with palonosetron, aprepitant and olanzapine for highly emetogenic chemotherapy in breast cancer.
Uses Palonosetron can be used to Anti-emetic; antinauseant.

Technology Process of Palonosetron

There total 12 articles about Palonosetron which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

: 135729-78-1
N-<(S)-1-azabicyclo<2.2.2>oct-3-yl>-5,6,7,8-tetrahydronaphthalene-1-carboxamide

: 135729-56-5
(S)-2-(1-azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro-1H-benz[de]isoquinolin-1-one

Guidance literature:: With sodium hydroxide; n-butyllithium; In tetrahydrofuran; N-methyl-acetamide; hexane;

Reference yield: 74.0%

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 135729-78-1
N-<(S)-1-azabicyclo<2.2.2>oct-3-yl>-5,6,7,8-tetrahydronaphthalene-1-carboxamide

: 135729-56-5
(S)-2-(1-azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro-1H-benz[de]isoquinolin-1-one

Guidance literature:: N-<(S)-1-azabicyclo<2.2.2>oct-3-yl>-5,6,7,8-tetrahydronaphthalene-1-carboxamide; With n-butyllithium; In tetrahydrofuran; hexane; at -23 - -14 ℃; for 1.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -23 ℃; for 2h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at 20 ℃; for 0.25h;
DOI:10.1021/acschemneuro.6b00192