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Chemical structure of Palonosetron HCl

GC17917

Palonosetron HCl

Also known as (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride

Palonosetron HCl is a 5-HT3 antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV)

ChemicalCAS135729-62-3MW332.87FormulaC19H25ClN2O
CAS number
135729-62-3
Molecular weight
332.87
Formula
C19H25ClN2O
Solubility
≥ 16·6435mg/mL in DMSO
InChIKey
OLDRWYVIKMSFFB-SSPJITILSA-N
Catalogue number
GC17917
Brand
GLPBIO
Computed properties PubChem CID 6918303 · TPSA 23.6 Ų · H-bond donors 1 · H-bond acceptors 2
TPSA
23.6 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23

SMILES C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5.Cl

Computed descriptors from PubChem (CID 6918303), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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