1-[[(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-en-3-yl]methyl]pyridinium inner salt
[CAS# 1000980-60-8]

Identification

• Name: 1-[[(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-en-3-yl]methyl]pyridinium inner salt
• Molecular Formula: C₂₂H₂₂N₆O₇S₂
• Molecular Weight: 546.58
• CAS Registry Number: 1000980-60-8
• SMILES: CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)C[N+]4=CC=CC=C4)C(=O)[O-]

Properties

• Solubility: 548.9 mg/L (25 °C water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.444, Calc.^*
• Melting point: 294.01 °C
• Boiling Point: 382.5±42.0 °C (760 mmHg), Calc.^*, 411.37 °C
• Flash Point: 185.1±27.9 °C, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P280-P305+P351+P338