Palonosetron hydrochloride

Palonosetron hydrochloride

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Catalog Number ACM135729623
CAS Number 135729-62-3
Structure
Synonyms Aloxi
IUPAC Name (3aS)-2-[(3S)-1-Azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride
Molecular Weight 332.87
Molecular Formula C19H25ClN2O
Canonical SMILES C1CC2CN(C(=O)C3=CC=CC(=C23)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/t15-,17-;/m1./s1
InChI Key OLDRWYVIKMSFFB-SSPJITILSA-N
Purity 98%+
Storage Store in dry, low temperature, sealed, 2-8 °C.
Complexity 456
Exact Mass 332.1655411
Heavy Atom Count 23
Isomeric SMILES C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5.Cl
Monoisotopic Mass 332.1655411
Topological Polar Surface Area 23.6Ų

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