Methacholine chloride

Base Information

• Chemical Name: Methacholine chloride
• CAS No.: 62-51-1
• Deprecated CAS: 2410-07-3
• Molecular Formula: C8H18 N O2 . Cl
• Molecular Weight: 195.689
• Hs Code.: 29239000
• European Community (EC) Number: 200-537-2
• NSC Number: 757090
• UNII: 0W5ETF9M2K
• DSSTox Substance ID: DTXSID7023271
• Wikidata: Q26841250
• NCI Thesaurus Code: C47607
• Metabolomics Workbench ID: 57342
• ChEMBL ID: CHEMBL1200764
• Mol file: 62-51-1.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 chloride

Chemical Property:

• Appearance/Colour: White hygroscopic crystals with slight odor of dead fish.
• Melting Point: 171-173 °C(lit.)
• Refractive Index: 1.5790 (estimate)
• PSA: 26.30000
• Density: 1.1028 (rough estimate)
• LogP: -2.35180
• Storage Temp.: 2-8°C
• Solubility.: H2O: 50 mg/mL, clear, colorless
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 195.1026065
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

98%,99%, ^*data from raw suppliers

O-Acetyl-β-methylcholineChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C[N+](C)(C)C)OC(=O)C.[Cl-]
• Recent ClinicalTrials: A Study to Evaluate the Sensitivity and Specificity of Inhaled Methacholine in Bronchial Provocation Test
• Recent EU Clinical Trials: Effects of tregalizumab on allergen-induced airway responses and airway inflammation in asthmatic patients
• Uses: antihypertensive, antianginal Acetyl-β-methylcholine (methacholine), an analog of acetylcholine, is use as a receptor agonist to study processes such as airway hyperresponsiveness associated with asthma.
• Clinical Use: Methacholine, acetyl β-methylcholine, is marketed as the racemic mixture. It is a selective muscarinic agonist with very little activity at nicotinic receptors. Although methacholine chloride is marketed as the racemic mixture, the S-(+)-enantiomer is 240-fold more potent than the R-(–)-isomer at muscarinic receptors. In addition, AChE hydrolyzes S-(+)–methacholine at approximately 54% the rate of acetylcholine, whereas the R-(–)–enantiomer is a weak inhibitor. Methacholine chloride is used via inhalation for the diagnosis of asthma. The resulting bronchospasm may be relieved with bronchodilators. Methacholine chloride is available as a powder that is reconstituted for inhalation.

Technology Process of Methacholine chloride

There total 1 articles about Methacholine chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

acetic anhydride (108-24-7) + (+/-)-(2-hydroxy-propyl)-trimethyl-ammonium; chloride (2382-43-6) → metacholine chloride (62-51-1)

Guidance literature:

at 100 ℃;

DOI:10.1021/ja01340a036

upstream raw materials:

acetic anhydride

(+/-)-(2-hydroxy-propyl)-trimethyl-ammonium; chloride