Ro 2-2227 structure

Ro 2-2227

dibenzyl-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl]-methylazanium bromide

CAS: 66902-86-1
Molecular Formula C24H28BrN3O2
Molecular Weight 470.4 g/mol
Topological Polar Surface Area 42.4 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 8
Exact Mass 469.1365
Heavy Atoms 30
Complexity 478.0

Chemical Identifiers

CAS Number 66902-86-1
SMILES CN(C)C(=O)OC1=C(N=CC=C1)C[N+](C)(CC2=CC=CC=C2)CC3=CC=CC=C3.[Br-]
InChIKey DKCOPUZPPXMXAL-UHFFFAOYSA-M

📖 Product Overview

Ro 2-2227 (CAS: 66902-86-1) is a chemical compound with molecular formula C24H28BrN3O2 and molecular weight 470.4 g/mol. Its IUPAC systematic name is dibenzyl-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl]-methylazanium bromide. Topological Polar Surface Area 42.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 469.1365 Heavy Atoms 30 Complexity 478.0 InChI Key: DKCOPUZPPXMXAL-UHFFFAOYSA-M. SMILES: CN(C)C(=O)OC1=C(N=CC=C1)C[N+](C)(CC2=CC=CC=C2)CC3=CC=CC=C3.[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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