AC1OEW0W structure

AC1OEW0W

2-[(1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-piperidin-1-ylethanone

Also Known As: 2-[(1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-piperidin-1-ylethanone

CAS: 956809-52-2
Molecular Formula C24H36N2O3
Molecular Weight 400.27258 g/mol
LogP 3.7659
Topological Polar Surface Area 53.01 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 400.27258
Monoisotopic Mass 400.27258
Heavy Atoms 29
Complexity 703.1211

Chemical Identifiers

CAS Number 956809-52-2
SMILES CCOC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@@]3(CCN2CC(=O)N4CCCCC4)O

Product Overview

AC1OEW0W (CAS 956809-52-2), with molecular formula C24H36N2O3 and molecular weight 400.27258 g/mol. IUPAC: 2-[(1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-piperidin-1-ylethanone.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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