7-(alpha-Hydroxy-alpha-phenylacetamido)-3-methyl-3-cephem-4-carboxylic acid
[CAS# 59684-59-2]

Identification

• Name: 7-(alpha-Hydroxy-alpha-phenylacetamido)-3-methyl-3-cephem-4-carboxylic acid
• Synonyms: (6R,7R)-7-[(2-Hydroxy-2-Phenyl-Acetyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[(2-Hydroxy-1-Oxo-2-Phenylethyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[(2-Hydroxy-2-Phenyl-Acetyl)Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₆N₂O₅S
• Molecular Weight: 348.37
• CAS Registry Number: 59684-59-2
• SMILES: [C@@H]12N(C(=C(CS1)C)C(=O)O)C([C@H]2NC(=O)C(C3=CC=CC=C3)O)=O
• InChI: 1S/C16H16N2O5S/c1-8-7-24-15-10(14(21)18(15)11(8)16(22)23)17-13(20)12(19)9-5-3-2-4-6-9/h2-6,10,12,15,19H,7H2,1H3,(H,17,20)(H,22,23)/t10-,12?,15-/m1/s1
• InChIKey: BMYHQZVYLLQHKO-KCOKAVLFSA-N

Properties

• Density: 1.547g/cm³ (Cal.)
• Boiling point: 750.315°C at 760 mmHg (Cal.)
• Flash point: 407.576°C (Cal.)