DTXSID60973084

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

CAS: 57543-00-7

Molecular Formula	`C20H24BrNO4`
Molecular Weight	422.3 g/mol
Topological Polar Surface Area	50.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	421.08887
Heavy Atoms	26
Complexity	455.0

Chemical Identifiers

CAS Number	57543-00-7
SMILES	`COC1=C(C=C(C=C1)CC2=[NH+]CCC3=CC(=C(C=C32)OC)OC)OC.[Br-]`
InChIKey	`JEMWDQUZUKAGKZ-UHFFFAOYSA-N`

📖 Product Overview

DTXSID60973084 (CAS: 57543-00-7) is a chemical compound with molecular formula C20H24BrNO4 and molecular weight 422.3 g/mol. Its IUPAC systematic name is 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide. Topological Polar Surface Area 50.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 421.08887 Heavy Atoms 26 Complexity 455.0 InChI Key: JEMWDQUZUKAGKZ-UHFFFAOYSA-N. SMILES: COC1=C(C=C(C=C1)CC2=[NH+]CCC3=CC(=C(C=C32)OC)OC)OC.[Br-].

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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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