trans-Ceftibuten
[CAS# 97519-40-9]

Identification

• Name: trans-Ceftibuten
• Synonyms: (6R,7R)-7-[[2-(2-Amino-1,3-Thiazol-4-Yl)-5-Hydroxy-5-Oxopent-2-Enoyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(E)-2-(2-Aminothiazol-4-Yl)-5-Hydroxy-5-Oxo-Pent-2-Enoyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2
• Molecular Formula: C₁₅H₁₄N₄O₆S₂
• Molecular Weight: 410.42
• CAS Registry Number: 97519-40-9
• SMILES: [C@H]12SCC=C(N1C(=O)[C@H]2NC(=O)C(/C3=CSC(=N3)N)=C/CC(=O)O)C(=O)O
• InChI: 1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1+/t10-,13-/m1/s1
• InChIKey: UNJFKXSSGBWRBZ-VTSZRNMSSA-N

Properties

• Density: 1.759g/cm³ (Cal.)
• Boiling point: 966.424°C at 760 mmHg (Cal.)
• Flash point: 538.274°C (Cal.)