(6R,7R)-3-(Acetoxymethyl)-7-[(Bromoacetyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 26973-80-8]

Identification

• Name: (6R,7R)-3-(Acetoxymethyl)-7-[(Bromoacetyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: 7-(a-Bromoacetamido)cephalosporanicacid
• Molecular Formula: C₁₂H₁₃BrN₂O₆S
• Molecular Weight: 393.21
• CAS Registry Number: 26973-80-8
• SMILES: O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)CBr)COC(C)=O)C(O)=O
• InChI: 1S/C12H13BrN2O6S/c1-5(16)21-3-6-4-22-11-8(14-7(17)2-13)10(18)15(11)9(6)12(19)20/h8,11H,2-4H2,1H3,(H,14,17)(H,19,20)/t8-,11-/m1/s1
• InChIKey: VDMWZOLTJWUSJT-LDYMZIIASA-N

Properties

• Density: 1.814g/cm³ (Cal.)
• Boiling point: 711.195°C at 760 mmHg (Cal.)
• Flash point: 383.917°C (Cal.)
• Refractive index: 1.659 (Cal.)