Ertapenem Oxazinone Impurity
[CAS# 866186-68-7]

Identification

• Name: Ertapenem Oxazinone Impurity
• Synonyms: (3S,4S,4aS,5R)-6-(((3S,5S)-5-((3-Carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3,5-dimethyl-1-oxo-3,4,4a,5-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic Acid
• Molecular Formula: C₂₃H₂₅N₃O₉S
• Molecular Weight: 519.52
• CAS Registry Number: 866186-68-7
• SMILES: C[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C)C(=O)O

Properties

• Density: 1.6±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.694, Calc.^*
• Boiling Point: 831.5±65.0 °C (760 mmHg), Calc.^*
• Flash Point: 456.7±34.3 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.