Ertapenem Impurity 15
[CAS# 1199797-42-6]

Identification

• Name: Ertapenem Impurity 15
• Synonyms: (4S)-N-(3-Carboxyphenyl)-4alpha-[[(4R)-1-[3-[[(4S)-4alpha-[[(4R,5S,6S)-2-carboxy-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-3-yl]thio]prolyl]amino]benzoyl]-2-carboxy-4alpha-methyl-5alpha-[(1S,2R)-1-carboxy-2-hydroxypropyl]-2-pyrroline-3-yl]thio]prolinamide
• Molecular Formula: C₄₄H₅₀N₆O₁₄S₂
• Molecular Weight: 951.03
• CAS Registry Number: 1199797-42-6
• SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)N5[C@H]([C@H](C(=C5C(=O)O)S[C@H]6C[C@H](NC6)C(=O)NC7=CC=CC(=C7)C(=O)O)C)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)[C@@H](C)O

Properties

• Solubility: 1144 mg/L (25 °C water)
• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.540, Calc.^*
• Melting point: 92.27 °C
• Boiling Point: 311.06 °C, 352.7±27.0 °C (760 mmHg), Calc.^*
• Flash Point: 154.3±13.8 °C, Calc.^*

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