Mefruside

Base Information

• Chemical Name: Mefruside
• CAS No.: 7195-27-9
• Molecular Formula: C13H19 Cl N2 O5 S2
• Molecular Weight: 382.889
• European Community (EC) Number: 230-562-4
• UNII: X1NS9SNS92
• DSSTox Substance ID: DTXSID0048844
• Nikkaji Number: J28.146H
• Wikipedia: Mefruside
• Wikidata: Q6807947
• NCI Thesaurus Code: C170157
• Metabolomics Workbench ID: 154216
• ChEMBL ID: CHEMBL2105131
• Mol file: 7195-27-9.mol

Synonyms:Mefruside

Chemical Property of Mefruside

Chemical Property:

• Vapor Pressure: 8.53E-13mmHg at 25°C
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 565.2°C at 760 mmHg
• Flash Point: 295.6°C
• PSA: 123.53000
• Density: 1.417g/cm³
• LogP: 4.03890
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 382.0423918
• Heavy Atom Count: 23
• Complexity: 628

Purity/Quality:

99%, ^*data from raw suppliers

Mefruside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCO1)CN(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N
• Uses: Mefruside is a diuretic used for the treatment of edema and hypertension.

Technology Process of Mefruside

There total 1 articles about Mefruside 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:

→ mefruside (7195-27-9)

Guidance literature:

Reference yield:

mefruside (7195-27-9) → C13H17ClNO5S2(1-)*K(1+)

Guidance literature:

With 2-mesityl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazolium chloride; potassium carbonate; benzaldehyde; In ethanol; at 78 ℃; for 18h; Sealed tube;

DOI:10.1002/chem.202000484

Reference yield:

mefruside (7195-27-9) → C13H19ClN(15)NO3(18)O2S2

Guidance literature:

Multi-step reaction with 3 steps

1: 2-mesityl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazolium chloride; potassium carbonate; benzaldehyde / ethanol / 18 h / 78 °C / Sealed tube

2: ¹⁸O-labeled water; hydrogenchloride / 1,4-dioxane / 1.5 h / 80 °C / Sealed tube

3: [¹⁵N]-ammonium hydroxide; iodine / 12 h / 23 °C

With hydrogenchloride; [¹⁵N]-ammonium hydroxide; 2-mesityl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazolium chloride; iodine; potassium carbonate; benzaldehyde; ¹⁸O-labeled water; In 1,4-dioxane; ethanol;

DOI:10.1002/chem.202000484

Downstream raw materials:

(S)-Mefrusid

(R)-Mefrusid

Refernces

• 1、 -. "2,3-dihydrobenzofuran-5-sulfonamide derivatives useful as antihypertensive diuretic agents". . . Retrieved 2008/06/13.