DTXSID80974851

1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride

CAS: 59444-56-3

Molecular Formula	`C20H23BrClNO4`
Molecular Weight	456.8 g/mol
Topological Polar Surface Area	50.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	455.0499
Heavy Atoms	27
Complexity	488.0

Chemical Identifiers

CAS Number	59444-56-3
SMILES	`COC1=C(C=C2C(=C1)CC[NH+]=C2CC3=CC(=C(C=C3Br)OC)OC)OC.[Cl-]`
InChIKey	`QAOUFVOJFVVNEX-UHFFFAOYSA-N`

📖 Product Overview

DTXSID80974851 (CAS: 59444-56-3) is a chemical compound with molecular formula C20H23BrClNO4 and molecular weight 456.8 g/mol. Its IUPAC systematic name is 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride. Topological Polar Surface Area 50.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 455.0499 Heavy Atoms 27 Complexity 488.0 InChI Key: QAOUFVOJFVVNEX-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C(=C1)CC[NH+]=C2CC3=CC(=C(C=C3Br)OC)OC)OC.[Cl-].

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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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