[7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate2-hydroxy-2-oxoacetate

[7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate;2-hydroxy-2-oxoacetate

CAS: 63905-69-1

Molecular Formula	`C24H26ClNO8`
Molecular Weight	491.9 g/mol
Topological Polar Surface Area	134.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	491.1347
Heavy Atoms	34
Complexity	627.0

Chemical Identifiers

CAS Number	63905-69-1
SMILES	`CC(=O)OC1=C(C=C2C([NH+](CCC2=C1)C)CCC3=CC=C(C=C3)Cl)OC(=O)C.C(=O)(C(=O)[O-])O`
InChIKey	`MNCIGKWNJKSUMU-UHFFFAOYSA-N`

📖 Product Overview

[7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate2-hydroxy-2-oxoacetate (CAS: 63905-69-1) is a chemical compound with molecular formula C24H26ClNO8 and molecular weight 491.9 g/mol. Its IUPAC systematic name is [7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 134.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 491.1347 Heavy Atoms 34 Complexity 627.0 InChI Key: MNCIGKWNJKSUMU-UHFFFAOYSA-N. SMILES: CC(=O)OC1=C(C=C2C([NH+](CCC2=C1)C)CCC3=CC=C(C=C3)Cl)OC(=O)C.C(=O)(C(=O)[O-])O.

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate2-hydroxy-2-oxoacetate.

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