2,4,5,6-Tetrahydro-2-[(3S)-1-oxido-1-azabicyclo[2.2.2]oct-3-yl]-1H-benz[de]isoquinolin-1-one, 98%

cas: 1021456-82-5 — see every product listed under this CAS number, including other names

2,4,5,6-Tetrahydro-2-[(3S)-1-oxido-1-azabicyclo[2.2.2]oct-3-yl]-1H-benz[de]isoquinolin-1-one, 98% (CAS 1021456-82-5) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 100mg, 250mg. Offered by: Chemat.

• 2D
• 3D

2-[(3S)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one (CAS 1021456-82-5) is a chemical compound with the molecular formula C19H22N2O2 and a molecular weight of 310.4 g/mol. IUPAC name: 2-[(3S)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one. InChIKey: UJTMVWDDYCEVNT-WAPLAKNRSA-N.

Identity

Molecular formula	C19H22N2O2
Molecular weight	310.4 g/mol
IUPAC name	2-[(3S)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one
InChIKey	UJTMVWDDYCEVNT-WAPLAKNRSA-N
SMILES	C1CC2=C3C(=CN(C(=O)C3=CC=C2)[C@@H]4C[N+]5(CCC4CC5)[O-])C1

Computed by PubChem (NCBI)

Synonyms: Dehydro palonosetron N-oxide, (3S)-3-(1-Oxo-5,6-dihydro-1H-benzo(de)isoquinolin-2(4H)-yl)quinuclidine 1-oxide, Palonosetron-3-ene N-Oxide, (s)-3-(1-oxo-5,6-dihydro-1h-benzo[de]isoquinolin-2(4h)-yl)quinuclidine 1-oxide, Palonosetron USP Related Compound B, Palonosetron Impurity 53

Isomers (same molecular formula)

N,N'-bis(2-phenylethyl)propanediamide C₁₉H₂₂N₂O₂

N,N'-bis(3,4-dimethylphenyl)propanediamide C₁₉H₂₂N₂O₂

2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine C₁₉H₂₂N₂O₂

4-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol C₁₉H₂₂N₂O₂

N,N'-bis(1-phenylethyl)propanediamide C₁₉H₂₂N₂O₂

4-[(3R,5S,6S,8S)-3-ethyl-4-oxa-1-azatricyclo[4.4.0.03,8]decan-5-yl]quinolin-6-ol C₁₉H₂₂N₂O₂

N-(4-methylphenyl)-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)acetamide C₁₉H₂₂N₂O₂

4-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol C₁₉H₂₂N₂O₂

benzyl 4-amino-4-phenylpiperidine-1-carboxylate C₁₉H₂₂N₂O₂

(3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3,3a,4,5-tetrahydrobenzo[de]isoquinoline-1,6-dione C₁₉H₂₂N₂O₂

ethyl 2,3-diphenylpiperazine-1-carboxylate C₁₉H₂₂N₂O₂

tert-butyl 3-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxylate C₁₉H₂₂N₂O₂