3-Hydroxy-Phenyl-Trimethyl-Ammonium

metabolite of neostigmine, bromide is Ro 2-2561

General

Type : Trimethylammonium

Chemical_Nomenclature : 3-Hydroxy Phenyl Trimethyl Ammonium iodide, Methanesulfonate

Canonical SMILES : C[N+](C)(C)C1=CC(=CC=C1)O.[I-]

InChI : InChI=1S\/C9H13NO.HI\/c1-10(2,3)8-5-4-6-9(11)7-8\;\/h4-7H,1-3H3\;1H

InChIKey : KNPHMCQIKGHPRU-UHFFFAOYSA-N

Other name(s) : TMPH, PTMA, 3-(Trimethylammonio)phenol iodide, m-(Dimethylamino)phenol methiodide, 3-Oxyphenyl trimethylammonium iodide, (m-Hydroxyphenyl)trimethylammonium iodide, 3-Hydroxy-N,N,N-trimethylbenzenaminium iodide, Ro 2-2561


MW : 279.118

Formula : C9H14INO

CAS_number : 2498-27-3

PubChem : 17250

UniChem : KNPHMCQIKGHPRU-UHFFFAOYSA-N

Target

Families : 3-Hydroxy-Phenyl-Trimethyl-Ammonium ligand of proteins in family
ACHE

References (2)

Title : Inhibition of acetylcholinesterase by hemicholiniums, conformationally constrained choline analogues. Evaluation of aryl and alkyl substituents. Comparisons with choline and (3- hydroxyphenyl)trimethylammonium - Lee_1992_Chem.Res.Toxicol_5_411
Author(s) : Lee BH , Stelly TC , Colucci WJ , Garcia JG , Gandour RD , Quinn DM
Ref : Chemical Research in Toxicology , 5 :411 , 1992
PubMedID: 1504265

Title : Metabolites of neostigmine and pyridostigmine do not contribute to antagonism of neuromuscular blockade in the dog - Hennis_1984_Anesthesiology_61_534
Author(s) : Hennis PJ , Cronnelly R , Sharma M , Fisher DM , Miller RD
Ref : Anesthesiology , 61 :534 , 1984
PubMedID: 6149707