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135729-62-3

Basic Information
CAS No.: 135729-62-3
Name: Palonosetron hydrochloride
Molecular Structure:
Molecular Structure of 135729-62-3 (Palonosetron hydrochloride)
Formula: C19H24N2O.HCl
Molecular Weight: 332.87
Synonyms: 1H-Benz[de]isoquinolin-1-one,2-(1-azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-, monohydrochloride,[S-(R*,R*)]-;1H-Benz[de]isoquinolin-1-one,2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, monohydrochloride,(3aS)- (9CI);Aloxi;Onicit;
EINECS: 680-630-6
Density: ==
Melting Point: >290 °C
Boiling Point: 470.4 °C at 760 mmHg
Flash Point: 209.5 °C
Appearance: White solid
PSA: 23.55000
LogP: 3.33430
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Chemistry

Systematic Name: (3aS)-2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
Synonyms of Palonosetron hydrochloride (CAS NO.135729-62-3): (3aS)-2,3,3a,4,5,6-Hexahydro-2-((3S)-3-quinuclidinyl)-1H-benz(de)isoquinolin-1-one monohydrochloride ; Aloxi ; 1H-Benz(de)isoquinolin-1-one, 2-(3S)-1-azabicyclo(2.2.2)oct-3-yl-2,3,3a,4,5,6-hexahydro-, monohydrochloride, (3aS)-
CAS NO: 135729-62-3
Molecular Formula: C19H24N2O.HCl
Molecular Weight: 332.87
Molecular Structure:
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 23.55 Å2
Flash Point: 209.5 °C
Enthalpy of Vaporization: 73.3 kJ/mol
Boiling Point: 470.4 °C at 760 mmHg
Vapour Pressure: 5.07E-09 mmHg at 25°C
Melting Point: >290°C
Appearance: White Solid
Product Categories of Palonosetron hydrochloride (CAS NO.135729-62-3): Selective 5-HT3 Receptor Antagonist;Chiral Reagents;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
SMILES: Cl.O=C5N([C@H]2C1CCN(CC1)C2)C[C@@H]4c3c5cccc3CCC4
InChI: InChI=1/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
InChIKey: OLDRWYVIKMSFFB-SSPJITILBP
Std. 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
Std. InChIKey: OLDRWYVIKMSFFB-SSPJITILSA-N

Uses

 Palonosetron hydrochloride (CAS NO.135729-62-3) is used in the prevention and treatment of chemotherapy-induced nausea and vomiting. Besides it is also used as antiemetic.