Clometacin

Base Information

• Chemical Name: Clometacin
• CAS No.: 25803-14-9
• Molecular Formula: C19H16 Cl N O4
• Molecular Weight: 357.793
• Hs Code.: 2933990090
• European Community (EC) Number: 247-271-3
• UNII: L9M34YK25C
• DSSTox Substance ID: DTXSID7048827
• Nikkaji Number: J20.635K
• Wikidata: Q3680897
• NCI Thesaurus Code: C77348
• ChEMBL ID: CHEMBL13376
• Mol file: 25803-14-9.mol

Synonyms:clometacin

Chemical Property of Clometacin

Chemical Property:

• Vapor Pressure: 1.47E-13mmHg at 25°C
• Melting Point: 242°
• Boiling Point: 564°C at 760 mmHg
• PKA: 4.04±0.10(Predicted)
• Flash Point: 294.9°C
• PSA: 68.53000
• Density: 1.32g/cm³
• LogP: 3.92730
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 357.0767857
• Heavy Atom Count: 25
• Complexity: 506

Purity/Quality:

98%Min ^*data from raw suppliers

Clometacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N1CC(=O)O)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl
• Uses: Clometacin is an antalgic drug that binds to human serum albumin (HSA) and inhibits the binding of indomethacin, warfarin, clofibrate and salicylic acid to HSA.
• Therapeutic Function: Analgesic, Antiinflammatory

Technology Process of Clometacin

There total 1 articles about Clometacin 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:

→ clometacin (25803-14-9)

Guidance literature:

entspr. Methylester, Kalilauge;

Refernces

• 1、 Doebel,Wasley. "Derivatives of indole-1-acetic acid as antiinflammatory agents.". . p. 1081 - 1082. Retrieved 2007/10/05.