Cefedrolor
[CAS# 57847-69-5]

Identification

• Name: Cefedrolor
• Synonyms: (6R,7R)-7-[[(2R)-2-Amino-2-(3-Chloro-4-Hydroxy-Phenyl)Acetyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2R)-2-Amino-2-(3-Chloro-4-Hydroxyphenyl)-1-Oxoethyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2R)-2-Amino-2-(3-Chloro-4-Hydroxy-Phenyl)Acetyl]Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₆ClN₃O₅S
• Molecular Weight: 397.83
• CAS Registry Number: 57847-69-5
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(O)C(=C3)Cl)C(=O)O)C
• InChI: 1S/C16H16ClN3O5S/c1-6-5-26-15-11(14(23)20(15)12(6)16(24)25)19-13(22)10(18)7-2-3-9(21)8(17)4-7/h2-4,10-11,15,21H,5,18H2,1H3,(H,19,22)(H,24,25)/t10-,11-,15-/m1/s1
• InChIKey: RULITNAIJFZYLO-UEKVPHQBSA-N

Properties

• Density: 1.664g/cm³ (Cal.)
• Boiling point: 776.869°C at 760 mmHg (Cal.)
• Flash point: 423.635°C (Cal.)