Mepenzolate bromide

Base Information

• Chemical Name: Mepenzolate bromide
• CAS No.: 76-90-4
• Deprecated CAS: 88215-34-3
• Molecular Formula: C21H26 N O3 . Br
• Molecular Weight: 420.346
• Hs Code.: 2933399090
• European Community (EC) Number: 200-992-7
• NSC Number: 757099,4358
• UNII: APX8D32IX1
• DSSTox Substance ID: DTXSID4023252
• Wikidata: Q27274055
• NCI Thesaurus Code: C61829
• Pharos Ligand ID: G7NGGSR3X8KQ
• ChEMBL ID: CHEMBL1724
• Mol file: 76-90-4.mol

Synonyms:Cantil;mepenzolate;mepenzolate bromide;mepenzolate bromide, (+-)-isomer;mepenzolate iodide;mepenzolic acid;mepenzolic acid, bromine salt;mepenzolic acid, bromine salt, 1-(methyl-(14)C)-labeled;N-methyl-3-piperidylbenzilate methyl bromide

Chemical Property of Mepenzolate bromide

Chemical Property:

• Melting Point: 228-229°C dec.
• PSA: 46.53000
• LogP: -0.33270
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 419.10961
• Heavy Atom Count: 26
• Complexity: 432

Purity/Quality:

99%, ^*data from raw suppliers

Mepenzolate Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]
• Uses: Used as an anticholinergic
• Therapeutic Function: Spasmolytic

Technology Process of Mepenzolate bromide

There total 1 articles about Mepenzolate 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:

→ mepenzolate bromide (76-90-4,88215-34-3)

Guidance literature:

DOI:10.1021/ja01613a068

Reference yield: 62.75%

mepenzolate bromide (76-90-4,88215-34-3) + sodium docusate (577-11-7) → mepenzolate docusate

Guidance literature:

In methanol; at 20 ℃; for 1h;