(6R,7R)-7-({(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(2-ethoxy-2-oxoethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Base Information

• Chemical Name: (6R,7R)-7-({(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(2-ethoxy-2-oxoethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS No.: 79368-95-9
• Molecular Formula: C18H19N5O7S2
• Molecular Weight: 481.50276
• DSSTox Substance ID: DTXSID40562410
• Mol file: 79368-95-9.mol

Synonyms:79368-95-9;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-ethoxy-2-oxoethoxy)iminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-((2-ethoxy-2-oxoethoxy)imino)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(6R,7R)-7-({(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(2-ethoxy-2-oxoethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Cefixime Ethyl Ester (Cefixime EP Impurity F);DTXSID40562410

Chemical Property of (6R,7R)-7-({(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(2-ethoxy-2-oxoethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Property:

• PKA: 2.80±0.50(Predicted)
• PSA: 231.27000
• Density: 1.68±0.1 g/cm3(Predicted)
• LogP: 0.64200
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 481.07259031
• Heavy Atom Count: 32
• Complexity: 893

Purity/Quality:

95-99% ^*data from raw suppliers

CefiximeEthylEsterSodiumSalt(CefiximeEPImpurityF) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C=C)C(=O)O
• Isomeric SMILES: CCOC(=O)CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C=C)C(=O)O
• Uses: Cefixime Ethyl Ester is an ester impurity of the third generation cephalosporin antibiotic, Cefixime (C242800).