Methacholine

Base Information

• Chemical Name: Methacholine
• CAS No.: 55-92-5
• Molecular Formula: C8H18 N O2
• Molecular Weight: 160.27
• UNII: 03V657ZD3V
• DSSTox Substance ID: DTXSID2046967
• Nikkaji Number: J11.055H
• Wikipedia: Methacholine
• Wikidata: Q413188
• NCI Thesaurus Code: C61837
• Pharos Ligand ID: LJUZDMNS84ZN
• Metabolomics Workbench ID: 43689
• ChEMBL ID: CHEMBL978
• Mol file: 55-92-5.mol

Synonyms:2-(Acetyloxy)-N,N,N-trimethyl-1-propanaminium Chloride;Acetyl 2 methylcholine Chloride;Acetyl beta methacholine Chloride;Acetyl beta methylcholine;Acetyl-2-methylcholine Chloride;Acetyl-beta-methacholine Chloride;Acetyl-beta-methylcholine;Chloride, Methacholine;Mecholine;Mecholyl;Methacholine;Methacholine Chloride;Provocholine;Provokit

Chemical Property of Methacholine

Chemical Property:

• Melting Point: 148-149 °C
• Refractive Index: 1.4476 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: 0.64420
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 160.133753817
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99%, ^*data from raw suppliers

METHACHOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: A poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits toxic vapors of N"> x." target="_blank">A poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits toxic vapors of N

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C[N+](C)(C)C)OC(=O)C
• Recent ClinicalTrials: Asthma Exacerbations and Vascular Function
• Recent EU Clinical Trials: Clinical study to investigate safety, tolerability, efficacy, pharmacokinetics and pharmacodynamics of multiple doses of the human GATA-3-specific DNAzyme solution SB010 in patients with mild allergic asthma
• Recent NIPH Clinical Trials: The relationship between methacholine induced cough response, cough receptor sensitivity to capsaicin and a sensation of irritation in the throat