Molecular Identity
NEOSTIGMINE
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium
PubChem CID: 4456
Neostigmine is a quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an antidote to curare poisoning.
2D Structure
Properties
C12H19N2O2+
Molecular Formula
223.29
Molecular Weight
g/mol
223.1447
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
29.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
246
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
NEOSTIGMINEEustigminEustigmineProstigmineVagostigmine59-99-4ProstigminNeostigminJuvastigminm-Trimethylammoniumphenyldimethylcarbamate3-Trimethylammoniumphenyl N,N-dimethylcarbamateNeostigmine ionNeostigmine cation3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylaniliniumNeostigmine (cation)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to NEOSTIGMINE
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