1.0 2016-05-25 18:27:22 UTC 2026-08-18 19:52:09 UTC Neostigmine SmallMolecule Neostigmine is an organic compound with the chemical formula C12H19N2O2 and an average molecular weight of 223.29 g/mol. Neostigmine belongs to the phenoxy compounds, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. In terms of biological activity, neostigmine acts as an inhibitor of the protein target acetylcholinesterase (ACHE). The compound is found in or released from seven recorded sources. These include pharmaceuticals and veterinary products, specifically miotics, antiglaucoma preparations, and parasympathomimetics. It is also associated with food, cookware, and food processing, specifically the preparation of vinegar and food preservation. Additionally, it is found in household cleaning and consumer products, such as tobacco smoke filters and non-electric simulated smoking devices, as well as in electrically stimulated smoking devices. Recorded exposure routes for neostigmine include oral, subcutaneous, intravenous, and intramuscular administration. C12H19N2O2 223.2915 223.144652862 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium neostigmine 59-99-4 CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1 ALWKGYPQUAPLQC-UHFFFAOYSA-N Detected and Not Quantified Neostigmine Action Pathway (new) SMP0126669 Neostigmine Drug Metabolism SMP0130728 Neostigmine Drug Metabolism Action Pathway SMP0143745 logp -2.2 logp -1.65 ALOGPS logs -3.58 ALOGPS solubility 6.77e-02 g/l ALOGPS logp -2.2 ChemAxon iupac 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium ChemAxon average_mass 223.2915 ChemAxon mono_mass 223.144652862 ChemAxon smiles CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C ChemAxon formula C12H19N2O2 ChemAxon inchi InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1 ChemAxon inchikey ALWKGYPQUAPLQC-UHFFFAOYSA-N ChemAxon polar_surface_area 29.54 ChemAxon refractivity 75.28 ChemAxon polarizability 25.08 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226377450> DB01400 4456 4301 BE0000426