neostigmine bromide

[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide

CAS: 114-80-7

Molecular Formula	`C12H19BrN2O2`
Molecular Weight	303.2 g/mol
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	302.063
Heavy Atoms	17
Complexity	246.0

Chemical Identifiers

CAS Number	114-80-7
SMILES	`CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-]`
InChIKey	`LULNWZDBKTWDGK-UHFFFAOYSA-M`

📖 Product Overview

neostigmine bromide (CAS: 114-80-7) is a chemical compound with molecular formula C12H19BrN2O2 and molecular weight 303.2 g/mol. Its IUPAC systematic name is [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide. Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 302.063 Heavy Atoms 17 Complexity 246.0 InChI Key: LULNWZDBKTWDGK-UHFFFAOYSA-M. SMILES: CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[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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