Methacholine bromide

Base Information

• Chemical Name: Methacholine bromide
• CAS No.: 333-31-3
• Deprecated CAS: 29845-59-8,4350-27-0
• Molecular Formula: C8H18 N O2 . Br
• Molecular Weight: 240.14
• Hs Code.: 29239000
• European Community (EC) Number: 206-372-2
• UNII: M73AI9718D
• DSSTox Substance ID: DTXSID90883364
• Wikidata: Q27283575
• ChEMBL ID: CHEMBL2106885
• Mol file: 333-31-3.mol

Synonyms:Methacholine bromide;333-31-3;Mecholyl Bromide;2-acetoxy-n,n,n-trimethylpropan-1-aminium bromide;1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, bromide;Methacholini bromidum;Acetyl beta-methylcholine bromide;Acetyl-beta-methylcholine bromide;2-acetyloxypropyl(trimethyl)azanium;bromide;Methacholine (bromide);Methacholine bromide [NF];UNII-M73AI9718D;M73AI9718D;EINECS 206-372-2;2-Acetoxypropyltrimethylammonium bromid;1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, bromide (1:1);MethacholineBromide;2-ACETYLOXYPROPYL-TRIMETHYL-AZANIUM BROMIDE;4350-27-0;SCHEMBL2349212;CHEMBL2106885;HY-A0083B;DTXSID90883364;Acetyl beta -methylcholine bromide;MFCD00011816;AKOS015902965;AS-57368;CS-0138379;FT-0628267;M0072;[2-(acetyloxy)propyl]trimethylazanium bromide;D91277;(2-Hydroxypropyl)Trimethylammonium Bromide Acetate;J-019146;Q27283575

Chemical Property of Methacholine bromide

Chemical Property:

• Melting Point: 147-149 °C(lit.)
• Refractive Index: 1.6120 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: -2.35180
• Storage Temp.: −20°C
• Sensitive.: Hygroscopic
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 239.05209
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

98% ^*data from raw suppliers

Acetyl-β-methylcholine bromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 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.[Br-]
• Uses: Methacholine is used only for bronchial hyperreactivity diagnostics. A synonym of this drug is provocholine. Acetyl-β-methylcholine bromide (methylcholine bromide, methacholine bromide, Mch), a muscarinic acetylcholine receptor agonist, may be used in studies that involve the indentification, characterization and mechanism of action of muscarinic acetylcholine receptors. Mch may be used as a reference material in procedures used to detect or quantify its presence.

Technology Process of Methacholine bromide

There total 2 articles about Methacholine bromide 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:

trimethylamine (75-50-3) → Methacholine bromide (333-31-3,4350-27-0)

Guidance literature:

at 45 - 50 ℃;

Reference yield:

methyl bromide (74-83-9) + 1-methyl-2-N,N-dimethylaminoethanol (108-16-7,53657-16-2) + acetic anhydride (108-24-7) → Methacholine bromide (333-31-3,4350-27-0)

Guidance literature:

upstream raw materials:

methyl bromide

1-methyl-2-N,N-dimethylaminoethanol

acetic anhydride

trimethylamine