N-(2,2,2-Trichloroacetyl)cefuroxime

Base Information

• Chemical Name: N-(2,2,2-Trichloroacetyl)cefuroxime
• CAS No.: 76598-06-6
• Molecular Formula: C18H15Cl3N4O9S
• Molecular Weight: 569.8
• UNII: Q2I223YL99
• DSSTox Substance ID: DTXSID20227398
• Mol file: 76598-06-6.mol

Synonyms:N-(2,2,2-Trichloroacetyl)cefuroxime;76598-06-6;UNII-Q2I223YL99;Q2I223YL99;Cefuroxime axetil impurity C [EP];Cefuroxime axetil impurity C;(6R,7R)-7-(((Z)-2-(Furan-2-yl)-2-(methoxyimino)acetyl)amino)-8-oxo-3-((((trichloroacetyl)carbamoyl)oxy)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid;(6R,7R)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2-furanyl(methoxyimino)acetyl)amino)-8-oxo-3-(((((trichloroacetyl)amino)carbonyl)oxy)methyl)-, (6R-(6alpha,7beta(Z)))-;DTXSID20227398;CEFUROXIME AXETIL IMPURITY C [EP IMPURITY];CEFUROXIME SODIUM IMPURITY D [EP IMPURITY];5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((2-FURANYL(METHOXYIMINO)ACETYL)AMINO)-8-OXO-3-(((((TRICHLOROACETYL)AMINO)CARBONYL)OXY)METHYL)-, (6R-(6.ALPHA.,7.BETA.(Z)))-

Chemical Property of N-(2,2,2-Trichloroacetyl)cefuroxime

Chemical Property:

• PKA: 2.51±0.50(Predicted)
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 567.962532
• Heavy Atom Count: 35
• Complexity: 1000

Purity/Quality:

≧95%, ^*data from raw suppliers

CefuroximeAxetilImpurityC(85%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)NC(=O)C(Cl)(Cl)Cl)C(=O)O
• Isomeric SMILES: CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)NC(=O)C(Cl)(Cl)Cl)C(=O)O
• Uses: Cefuroxime Axetil Impurity C is an metabolite of Cefuroxime Axetil (C248065), an injectable second generation cephalosporin with excellent antibacterial activity. Cefuroxime Axetil Impurity C (Cefuroxime Axetil EP Impurity C(Cefuroxime Sodium EP D)) is an metabolite of Cefuroxime Axetil (C248065), an injectable second generation cephalosporin with excellent antibacterial activity.