(6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Base Information

• Chemical Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS No.: 97232-98-9
• Molecular Formula: C17H17N3O8S
• Molecular Weight: 423.4
• European Community (EC) Number: 254-592-2
• UNII: 9FA4SWZ5ZT
• DSSTox Substance ID: DTXSID101100961
• Nikkaji Number: J91.947K
• Wikidata: Q27277711
• Mol file: 97232-98-9.mol

Synonyms:97232-98-9;Cefuracetime (E-isomer);9FA4SWZ5ZT;SKF81367;UNII-9FA4SWZ5ZT;(6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Cefuroxime sodium impurity G [EP];39685-31-9;(6R,7R)-3-((Acetyloxy)methyl)-7-(((E)-(furan-2-yl)(methoxyimino)acetyl)amino)-8-oxo-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, 3-((acetyloxy)methyl)-7-((2-furanyl(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(E)))-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[2-furanyl(methoxyimino)acetyl]amino]-8-oxo-, [6R-[6alpha,7beta(E)]]-;SCHEMBL615048;YBHZVPYSEUQIII-MKHSIZEZSA-N;DTXSID101100961;A900172;CEFUROXIME SODIUM IMPURITY G [EP IMPURITY];Q27277711;7-[2-(2-Furyl)-2-methoxyiminoacetamido]cephalosporanic acid;5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-((2-FURANYL(METHOXYIMINO)ACETYL)AMINO)-8-OXO-, (6R-(6.ALPHA.,7.BETA.(E)))-

Chemical Property of (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Property:

• PKA: 2.66±0.50(Predicted)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 423.07363568
• Heavy Atom Count: 29
• Complexity: 796

Purity/Quality:

≧95%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CC=CO3)SC1)C(=O)O
• Isomeric SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CC=CO3)SC1)C(=O)O