Palonosetron, (3aR)-

Base Information Edit

Chemical Name:Palonosetron, (3aR)-
CAS No.:119904-90-4
Molecular Formula:C₇H₁₄N₂*2ClH
Molecular Weight:199.123
Hs Code.:29333990
UNII:YZS3R7LP44
DSSTox Substance ID:DTXSID701331918
Nikkaji Number:J632.625K
Wikidata:Q61815178
ChEMBL ID:CHEMBL1276421
Mol file:119904-90-4.mol

Synonyms:Palonosetron, (3aR)-;135729-73-6;(3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;YZS3R7LP44;(R)-2-((S)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one;1H-Benz(de)isoquinolin-1-one, 2-(3S)-1-azabicyclo(2.2.2)oct-3-yl-2,3,3a,4,5,6-hexahydro-, (3aR)-;7A9;(3aR)-Palonosetron;NCGC00166415-01;UNII-YZS3R7LP44;SCHEMBL3747;CHEMBL1276421;DTXSID701331918;NCGC00166415-02;EN300-117247;Q61815178;(3aR)-2-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one;(5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0,]trideca-1(13),9,11-trien-2-one;(5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0,5,13]trideca-1(12),9(13),10-trien-2-one;(5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),9,11-trien-2-one

Suppliers and Price of Palonosetron, (3aR)-

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

TRC
(3S)-AminoquinuclidineDihydrochloride
50g
$ 295.00

TCI Chemical
(S)-(-)-3-Aminoquinuclidine Dihydrochloride >98.0%(N)(T)
1g
$ 41.00

SynQuest Laboratories
(3S)-Quinuclidin-3-aminedihydrochloride 99%
5 g
$ 132.00

SynQuest Laboratories
(3S)-Quinuclidin-3-aminedihydrochloride 99%
25 g
$ 287.00

Sigma-Aldrich
(S)-(?)-3-Aminoquinuclidine dihydrochloride 98%
1g
$ 57.00

Medical Isotopes, Inc.
(3S)-AminoquinuclidineDiHCl
500 mg
$ 2620.00

Matrix Scientific
(3S)-Quinuclidin-3-amine dihydrochloride 97%
25g
$ 285.00

Matrix Scientific
(3S)-Quinuclidin-3-amine dihydrochloride 97%
10g
$ 142.00

J&W Pharmlab
(S)-1-Aza-bicyclo[2.2.2]oct-3-ylaminedihydrochloride 97%
5g
$ 195.00

Frontier Specialty Chemicals
(S)-(-)-3-Aminoquinuclidine Dihydrochloride 99%
1g
$ 122.00

Total 165 raw suppliers

Chemical Property of Palonosetron, (3aR)- Edit

Chemical Property:

Vapor Pressure:5.07E-09mmHg at 25°C
Melting Point:260 °C
Refractive Index:1.645
Boiling Point:470.4 °C at 760 mmHg
Flash Point:209.5 °C
PSA：29.26000
Density:1.24 g/cm³
LogP:2.28150
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:Methanol (Slightly), Water (Slightly)
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

(3S)-AminoquinuclidineDihydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

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
Uses Palonosetron intermediate.

Technology Process of Palonosetron, (3aR)-

There total 21 articles about Palonosetron, (3aR)- 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: 85.0%