Glucametacin

Base Information

• Chemical Name: Glucametacin
• CAS No.: 52443-21-7
• Molecular Formula: C25H27ClN2O8
• Molecular Weight: 518.94
• European Community (EC) Number: 257-923-9
• UNII: N1EXE5EHAN
• DSSTox Substance ID: DTXSID80200445
• Nikkaji Number: J9.932E
• NCI Thesaurus Code: C80554
• ChEMBL ID: CHEMBL488914
• Mol file: 52443-21-7.mol

Synonyms:glucametacin;glucametacine;glucamethacin1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid monohydrate glucosamide;glucometacin;glucometacine;Teorema;Teoremac

Chemical Property of Glucametacin

Chemical Property:

• Vapor Pressure: 1.47E-26mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 793.7 °C at 760 mmHg
• PKA: 13.05±0.20(Predicted)
• Flash Point: 433.8 °C
• PSA: 159.71000
• Density: 1.44 g/cm³
• LogP: 1.08540
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 518.1455935
• Heavy Atom Count: 36
• Complexity: 764

Purity/Quality:

98%Min ^*data from raw suppliers

Glucametacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC(C=O)C(C(C(CO)O)O)O
• Isomeric SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
• Uses: A nonsteroidal antiinflammatory analgesic. An indomethacin conjugates with D-glucosamine was prepared for reducing ulcerogenic potency, increasing the bioavailability of indomethacin and exerting the coordinative effects on osteoarthritis.