Epirizole

Base Information

• Chemical Name: Epirizole
• CAS No.: 18694-40-1
• Molecular Formula: C11H14 N4 O2
• Molecular Weight: 234.258
• Hs Code.: 2933990090
• European Community (EC) Number: 242-507-1
• UNII: 3B46O2FH8I
• DSSTox Substance ID: DTXSID4045422
• Nikkaji Number: J3.453C
• Wikipedia: Epirizole
• Wikidata: Q5383219
• NCI Thesaurus Code: C76075
• Metabolomics Workbench ID: 152065
• ChEMBL ID: CHEMBL1411693
• Mol file: 18694-40-1.mol

Synonyms:Epirizole;Mepirizole;Methopyrimazole

Chemical Property of Epirizole

Chemical Property:

• Appearance/Colour: Yellow power
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 90-92°
• Refractive Index: 1.601
• Boiling Point: 444°Cat760mmHg
• PKA: 0.65±0.50(Predicted)
• Flash Point: 222.3°C
• PSA: 62.06000
• Density: 1.25g/cm³
• LogP: 1.29630
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 234.11167570
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

98%,99%, ^*data from raw suppliers

Mepirizole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC)OC
• Uses: Analgesic; anti-inflammatory. Mepirizole induces precocious differentiation of insulin-producing ti-cells in larval zebrafish. Also, it increases the expression of MDR1 mRNA in Caco-2 cells; Non-acidic analgesic.
• Therapeutic Function: Antiinflammatory, Analgesic, Antipyretic

Technology Process of Epirizole

There total 3 articles about Epirizole 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:

lithium cyclo-hexaphosphate hexahydrate → cyclohexaphosphoric acid (18694-07-0)

Guidance literature:

With Amberlite IR 120; In water; sample soln. passing through ion exchange resin (Amberlite IR 120);

DOI:10.1016/0025-5408(96)00115-8

Reference yield:

lithium cyclohexaphosphate → cyclohexaphosphoric acid (18694-07-0)

Guidance literature:

With ion-exchange resin; In water; soln. passing through ion-exchange resin (Amberlite IR120, H-state);

Reference yield:

→ epirizole (18694-40-1)

Guidance literature:

/BRN= 895183/ beim Schmelzen;

Refernces

• 1、 Marouani,Rzaigui,Bagieu-Beucher. "Synthesis and crystal structure of(1,6-NH3C6H12NH3) 2(1-NH3C10H7)2P 6O18.2H2O". . p. 459 - 471. Retrieved 2008/10/08.
• 2、 Abid,Rzaigui. "Chemical preparation, thermal behavior and crystal structure of calcium-cesium cyclohexaphosphate dihydrate". . p. 1287 - 1296. Retrieved 2008/10/08.