Mibefradil

Base Information

• Chemical Name: Mibefradil
• CAS No.: 116644-53-2
• Molecular Formula: C₂₉H₃₈FN₃O₃
• Molecular Weight: 495.637
• UNII: 27B90X776A
• DSSTox Substance ID: DTXSID1023318
• Nikkaji Number: J281.718G
• Wikipedia: Mibefradil
• Wikidata: Q6827783
• NCI Thesaurus Code: C87686
• Pharos Ligand ID: KY2KDTUWSUYM
• Metabolomics Workbench ID: 67782
• ChEMBL ID: CHEMBL45816
• Mol file: 116644-53-2.mol

Synonyms:Mibefradil;Mibefradil Dihydrochloride;Posicor;Ro 40 5967;Ro 40-5967;Ro 405967

Chemical Property of Mibefradil

Chemical Property:

• Vapor Pressure: 1.17E-16mmHg at 25°C
• Boiling Point: 647.6°Cat760mmHg
• PKA: 11.93±0.10(Predicted)
• Flash Point: 345.5°C
• PSA: 67.45000
• Density: 1.18g/cm³
• LogP: 5.27090
• Storage Temp.: Desiccate at RT
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 495.28972024
• Heavy Atom Count: 36
• Complexity: 709

Purity/Quality:

97% ^*data from raw suppliers

Mibefradil dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F
• Isomeric SMILES: CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F
• Recent ClinicalTrials: Mibefradil Dihydrochloride and Temozolomide in Treating Patients With Recurrent Glioma
• Uses: Vasodilator. Mibefradil dihydrochloride is selectively blocks Ca2+?entry into cells by inhibiting T-type Ca2+?channels.
• Therapeutic Function: Coronary vasodilator

Technology Process of Mibefradil

There total 2 articles about Mibefradil 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:

→ mibefradil (116666-63-8,116644-53-2)

Guidance literature:

Reference yield:

→ mibefradil (116666-63-8,116644-53-2) + mibefradil dihydrochloride (116666-63-8)

Guidance literature:

Reference yield:

mibefradil (116666-63-8,116644-53-2) + C13H17ClO3 → C42H54FN3O6

Guidance literature:

mibefradil; With sodium hydride; In tetrahydrofuran; for 0.5h; Inert atmosphere;

C₁₃H₁₇ClO₃; In tetrahydrofuran; for 16h;

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