Metocurine iodide

Base Information

• Chemical Name: Metocurine iodide
• CAS No.: 7601-55-0
• Molecular Formula: C40H48N2O6•2I
• Molecular Weight: 906.64
• European Community (EC) Number: 231-510-3
• UNII: O0U0E87X7F
• DSSTox Substance ID: DTXSID9022944
• Wikidata: Q20817012
• NCI Thesaurus Code: C66131
• Metabolomics Workbench ID: 145157
• ChEMBL ID: CHEMBL1739
• Mol file: 7601-55-0.mol

Synonyms:dimethyl dl-curine dimethochloride;dimethyl-L-curine dimethochloride;dimethyl-L-curine dimethoiodide;dimethylchondrocurarine;dimethylcurarine dimethochloride;dimethylcurine;DMCDM;metocurine;metocurine dichloride;metocurine dichloride(1alpha)-isomer;metocurine dichloride, (1'alpha)-isomer;metocurine dichloride, (1beta)-(+-)-isomer;metocurine dihydroxide;metocurine diiodide;metocurine diiodide, (1beta)-(+-)-isomer;metocurine diiodide, (1beta)-isomer;metocurine iodide;metocurine, (1'alpha)-isomer;metocurine, (1beta)-isomer;Metubine

Chemical Property of Metocurine iodide

Chemical Property:

• PSA: 55.38000
• LogP: 1.37720
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 906.16018
• Heavy Atom Count: 50
• Complexity: 1060

Purity/Quality:

TETRANDRINI DIMETHIODIDUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-]
• Isomeric SMILES: C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-]
• Uses: Metocurine Iodide is used as Zika virus protease inhibitor.
• Therapeutic Function: Muscle relaxant

Technology Process of Metocurine iodide

There total 6 articles about Metocurine iodide 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:

methyl iodide (74-88-4) → metocurine iodide (7601-55-0)

Guidance literature:

With potassium hydroxide;

DOI:10.1039/jr9350001381 DOI:10.1021/ja01207a022 DOI:10.1002/ardp.19542870914

Reference yield:

tubocurarinium; chloride hydrochloride (57-94-3) + methyl iodide (74-88-4) → metocurine iodide (7601-55-0)

Guidance literature:

With potassium hydroxide;

DOI:10.1039/jr9350001381 DOI:10.1021/ja01207a022 DOI:10.1002/ardp.19542870914

Reference yield:

methyl iodide (74-88-4) → metocurine iodide (5096-67-3,7601-55-0,16240-52-1,107928-81-4,113216-08-3)

Guidance literature:

With methanol;

upstream raw materials:

methyl iodide

tubocurarinium; chloride hydrochloride

O-methyl-hayatidin

(S,R)-hayatidin