Ertapenem Dimer Ester Impurity
[CAS# 402955-38-8]

Identification

• Name: Ertapenem Dimer Ester Impurity
• Synonyms: Ertapenem Dimer II;(4R,5S,6S)-3-[(3S,5S)-5-[[3-[(1R,2R)-1-carboxy-1-[(2S,3R)-5-carboxy-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yl]oxycarbonylphenyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Molecular Formula: C₄₄H₅₀N₆O₁₄S₂
• Molecular Weight: 951.03
• CAS Registry Number: 402955-38-8
• SMILES: C[C@@H]1[C@@H](N=C(C1S[C@H]2C[C@H](NC2)C(=O)NC3=CC=CC(=C3)C(=O)O)C(=O)O)[C@H]([C@@H](C)OC(=O)C4=CC(=CC=C4)NC(=O)[C@@H]5C[C@@H](CN5)SC6=C(N7[C@H]([C@H]6C)[C@H](C7=O)[C@@H](C)O)C(=O)O)C(=O)O

Properties

• Density: 1.7±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.759, Calc.^*

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