Molecule ID: 8307

IUPAC Name: ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride

Description: The molecule is the chloride salt of edrophonium. A reversible inhibitor of cholinesterase with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes), it is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor, a diagnostic agent and an antidote. It is a quaternary ammonium salt and a chloride salt. It contains an edrophonium.

SMILES: CC[N+](C)(C)c1cccc([O-])c1.Cl

SELFIES: [C][C][N+1][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][O-1][=C][Ring1][#Branch1].[Cl]

InChI: InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: nan