Bromure d'oxitropium

Base Information

• Chemical Name: Bromure d'oxitropium
• CAS No.: 30286-75-0
• Molecular Formula: C19H26 N O4 . Br
• Molecular Weight: 412.324
• European Community (EC) Number: 250-113-6
• Mol file: 30286-75-0.mol

Synonyms:Tersigan (TN);30286-75-0;Oxitropium bromide (JAN/INN);D01946

Chemical Property of Bromure d'oxitropium

Chemical Property:

• Melting Point: 203-204° (dec)
• PSA: 59.06000
• LogP: -1.58440
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Very soluble in water, freely soluble in methanol, sparingly soluble in ethanol (96 per cent), practically insoluble in methylene chloride.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 411.10452
• Heavy Atom Count: 25
• Complexity: 472

Purity/Quality:

99% ^*data from raw suppliers

Oxitropium bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]
• Isomeric SMILES: CC[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
• Description: Oxitropium bromide is an analog of the anticholinergics methscopolamine bromide and ipratropium bromide, useful in the treatment of bronchial asthma. Cited advantages include a long duration of action and lack of cardiovascular effects.
• Uses: Anticholinergic; treatment of reversible airways obstruction. Oxitropium Bromide is an anticholinergic agent.
• Therapeutic Function: Anticholinergic bronchodilator

Technology Process of Bromure d'oxitropium

There total 5 articles about Bromure d'oxitropium 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: 84.6%

methyl bromide (74-83-9) + (-)-N-Ethylnorscopolamin (67009-40-9) → oxytropium bromide (30286-75-0)

Guidance literature:

In acetonitrile; for 68h; Ambient temperature;

Reference yield:

ethyl bromide (74-96-4) → oxytropium bromide (30286-75-0)

Guidance literature:

With benzene;

DOI:10.1021/ja01595a051

Reference yield:

hyoscine hydrobromide (114-49-8) → oxytropium bromide (30286-75-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 77.3 percent / 1.) Na₂CO₃, 1N H₂SO₄, KMnO₄, 2.) HCl / 1.) (pH=7), 30 deg C, water, 2 h; 2.) (pH=5-6), T < 20 deg C, CH₂Cl₂

2: Na₂CO₃ / acetonitrile / 8 h / Heating

3: 84.6 percent / acetonitrile / 68 h / Ambient temperature

With hydrogenchloride; potassium permanganate; sulfuric acid; sodium carbonate; In acetonitrile;

upstream raw materials:

methyl bromide

(-)-N-Ethylnorscopolamin

ethyl bromide

hyoscine hydrobromide

Downstream raw materials:

(-)-N-Ethylnorscopolamin

scopolamine

Refernces

• 1、 -. "Suspension aerosol formulations of pharmaceutical products". . . Retrieved 2008/06/13.