Quinethazone

Base Information

• Chemical Name: Quinethazone
• CAS No.: 73-49-4
• Molecular Formula: C₁₀H₁₂ClN₃O₃S
• Molecular Weight: 289.743
• European Community (EC) Number: 200-801-7
• NSC Number: 759904
• UNII: 455E0S048W
• DSSTox Substance ID: DTXSID9023548
• Nikkaji Number: J1.429J
• Wikipedia: Quinethazone
• Wikidata: Q7272222
• NCI Thesaurus Code: C66501
• Pharos Ligand ID: KN6WAW87MUJN
• Metabolomics Workbench ID: 43494
• ChEMBL ID: CHEMBL1532
• Mol file: 73-49-4.mol

Synonyms:quinethazone;quinethazone, (+)-isomer;quinethazone, (+-)-isomer;quinethazone, (-)-isomer

Chemical Property of Quinethazone

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 250-252°
• Refractive Index: 1.582
• PKA: pKa 9.3 (Uncertain);10.7 (Uncertain)
• PSA: 109.67000
• Density: 1.425 g/cm³
• LogP: 3.12670
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly, Sonicated)
• Water Solubility.: 0.15g/L(25 oC)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 289.0287901
• Heavy Atom Count: 18
• Complexity: 436

Purity/Quality:

98%min ^*data from raw suppliers

Quinethazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1NC2=CC(=C(C=C2C(=O)N1)S(=O)(=O)N)Cl
• Uses: Quinethazone is a thiazide diuretic used to treat hypertension.

Technology Process of Quinethazone

There total 1 articles about Quinethazone 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:

→ quinethazone (73-49-4,96783-18-5,96783-19-6)

Guidance literature:

2-Amino-4-chlor-5-sulfamoyl-benzamid, Propionaldehyd-diaethyldiacetal, EtOH, aq HCl, Δ;

DOI:10.1021/ja01496a020

Reference yield: 12.0%

thymol (89-83-8) + quinethazone (73-49-4,96783-18-5,96783-19-6) → 7-chloro-2-ethyl-6-(5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dienylideneamino)-2,3-dihydro-1H-quinazolin-4-one

Guidance literature:

With sodium hypochlorite; In sodium hydroxide; at 20 ℃; for 1h;