Cefoxazole
[CAS# 36920-48-6]

Identification

• Name: Cefoxazole
• Synonyms: (6R,7R)-3-(Acetoxymethyl)-7-[[3-(2-Chlorophenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Acetoxymethyl)-7-[[[3-(2-Chlorophenyl)-5-Methyl-4-Isoxazolyl]-Oxomethyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Acetoxymethyl)-7-[[3-(2-Chlorophenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₈ClN₃O₇S
• Molecular Weight: 491.90
• CAS Registry Number: 36920-48-6
• SMILES: [C@@H]12N(C(=C(COC(C)=O)CS1)C(O)=O)C(=O)[C@H]2NC(C3=C(ON=C3C4=C(C=CC=C4)Cl)C)=O
• InChI: 1S/C21H18ClN3O7S/c1-9-14(15(24-32-9)12-5-3-4-6-13(12)22)18(27)23-16-19(28)25-17(21(29)30)11(7-31-10(2)26)8-33-20(16)25/h3-6,16,20H,7-8H2,1-2H3,(H,23,27)(H,29,30)/t16-,20-/m1/s1
• InChIKey: OCLRGULJISNUQS-OXQOHEQNSA-N

Properties

• Density: 1.606g/cm³ (Cal.)
• Boiling point: 763.773°C at 760 mmHg (Cal.)
• Flash point: 415.715°C (Cal.)