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(S,S)-Palonosetron-[d3] Hydrochloride

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(S,S)-Palonosetron-[d3] Hydrochloride

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General Information
Catalog: BLP-000769
CAS: 1246816-81-8
Molecular Formula: C19H21D3N2O.HCl
Molecular Weight: 335.89

Chemical Structure

Description	(S,S)-Palonosetron-[d3] Hydrochloride is the labelled analogue of Palonosetron Hydrochloride. Palonosetron Hydrochloride is a 5-HT3 antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting.
Synonyms	(S,S)-Palonosetron-d3 Hydrochloride; Aloxi-D3; (3aS)-2-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one-d3 Hydrochloride; Aloxi-d3; Onicit-d3
IUPAC Name	(3aS)-3,3-dideuterio-2-[(3S)-3-deuterio-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydrobenzo[de]isoquinolin-1-one:hydrochloride
Related CAS	135729-62-3 (unlabelled) 1222442-52-5 (free base) 135729-61-2 (unlabelled free base)
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/i11D2,17D;
InChI Key	OLDRWYVIKMSFFB-RAVRUBKISA-N
Melting Point	> 244 °C (dec.)
Purity	97%; > 95% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	2-8 °C

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