Butylscopolamine bromide

Base Information

• Chemical Name: Butylscopolamine bromide
• CAS No.: 149-64-4
• Molecular Formula: C21H30NO4.Br
• Molecular Weight: 440.377
• Hs Code.: 2939999090
• European Community (EC) Number: 205-744-1
• Wikipedia: Hyoscine_butylbromide
• Mol file: 149-64-4.mol

Synonyms:149-64-4;Scopolamine butylbromide (JP17);D01451

Chemical Property of Butylscopolamine bromide

Chemical Property:

• Appearance/Colour: White crystalline solid
• Melting Point: 142-144 °C
• PSA: 59.06000
• LogP: -0.80420
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: H2O: 50 mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 439.13582
• Heavy Atom Count: 27
• Complexity: 500

Purity/Quality:

98%99% ^*data from raw suppliers

N-ButylscopolammoniumBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]
• Isomeric SMILES: CCCC[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
• Recent EU Clinical Trials: A double-blind, randomized, cross-over, multi-center efficacy and safety study of ibuprofen plus hyoscine butylbromide for pain management due to primary dysmenorrhea
• Recent NIPH Clinical Trials: The effectiveness of esophageal peristaltic suppression using an intravenous drip of scopolamine butylbromide for endoscopic injection sclerotherapy of esophageal varices
• Uses: Anticholinergic. Antispasmodic (?)-Scopolamine N-butyl bromide was used as standard in designing a procedure for quantification of compounds using CE-MS.8
• Therapeutic Function: Anticholinergic, Spasmolytic, Antitussive
• Clinical Use: Symptomatic relief of gastrointestinal or genitourinary disorders due to smooth muscle spasm Bowel colic Excessive respiratory secretions
• Drug interactions: Potentially hazardous interactions with other drugs None known

Technology Process of Butylscopolamine bromide

There total 2 articles about Butylscopolamine 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:

1-bromo-butane (109-65-9) → hyoscine-N-butyl bromide (149-64-4)

Guidance literature:

With acetonitrile;

Reference yield:

methyl bromide (74-83-9) + N-butylscopolamine (14861-14-4) → hyoscine-N-butyl bromide (149-64-4)

Guidance literature:

In acetonitrile; Ambient temperature;

Reference yield:

hyoscine-N-butyl bromide (149-64-4) → scopine (498-45-3)

Guidance literature:

With ruthenium trichloride; potassium metaperiodate; diperiodatocuprate(III) dihydrate; water; potassium nitrate; potassium hydroxide; at 28 ℃; for 6h; Concentration; Temperature; Kinetics; Catalytic behavior; Inert atmosphere;

upstream raw materials:

methyl bromide

N-butylscopolamine

1-bromo-butane

Downstream raw materials:

scopine

Refernces