2-[[(7R)-7-[[(R)-2-Phenyl-2-Hydroxy-1-Oxoethyl]Amino]-4-Carboxycepham-3-En-3-Yl]Methylthio]Pyridine 1-Oxide
[CAS# 56369-20-1]

Identification

• Name: 2-[[(7R)-7-[[(R)-2-Phenyl-2-Hydroxy-1-Oxoethyl]Amino]-4-Carboxycepham-3-En-3-Yl]Methylthio]Pyridine 1-Oxide
• Synonyms: (6R)-7-[(2-Hydroxy-2-Phenyl-Acetyl)Amino]-3-[(1-Oxidopyridin-1-Ium-2-Yl)Sulfanylmethyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R)-7-[(2-Hydroxy-1-Oxo-2-Phenylethyl)Amino]-3-[[(1-Oxido-2-Pyridin-1-Iumyl)Thio]Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R)-7-[(2-Hydroxy-2-Phenyl-Acetyl)Amino]-8-Keto-3-[[(1-Oxidopyridin-1-Ium-2-Yl)Thio]Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₉N₃O₆S₂
• Molecular Weight: 473.52
• CAS Registry Number: 56369-20-1
• SMILES: [C@@H]13N(C(=C(CS1)CSC2=CC=CC=[N+]2[O-])C(=O)O)C(C3NC(=O)C(C4=CC=CC=C4)O)=O
• InChI: 1S/C21H19N3O6S2/c25-17(12-6-2-1-3-7-12)18(26)22-15-19(27)24-16(21(28)29)13(11-32-20(15)24)10-31-14-8-4-5-9-23(14)30/h1-9,15,17,20,25H,10-11H2,(H,22,26)(H,28,29)/t15?,17?,20-/m1/s1
• InChIKey: AKLKAQCEKYIVSJ-MKJPBZQASA-N

Properties

• Density: 1.604g/cm³ (Cal.)
• Boiling point: 936.738°C at 760 mmHg (Cal.)
• Flash point: 520.321°C (Cal.)