(6R-trans)-3-(Acetoxymethyl)-7-[(2-Aminothiazol-4-Yl)Acetamido]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 58233-18-4]

Identification

• Name: (6R-trans)-3-(Acetoxymethyl)-7-[(2-Aminothiazol-4-Yl)Acetamido]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: 3-(Acetoxymethyl)-7-[[2-(2-Aminothiazol-4-Yl)Acetyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 3-(Acetoxymethyl)-7-[[2-(2-Amino-4-Thiazolyl)-1-Oxoethyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 3-(Acetoxymethyl)-7-[[2-(2-Aminothiazol-4-Yl)Acetyl]Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₅H₁₆N₄O₆S₂
• Molecular Weight: 412.43
• CAS Registry Number: 58233-18-4
• EINECS: 261-175-9
• SMILES: C1=C(N=C(S1)N)CC(=O)NC3C2SCC(=C(N2C3=O)C(=O)O)COC(=O)C
• InChI: 1S/C15H16N4O6S2/c1-6(20)25-3-7-4-26-13-10(12(22)19(13)11(7)14(23)24)18-9(21)2-8-5-27-15(16)17-8/h5,10,13H,2-4H2,1H3,(H2,16,17)(H,18,21)(H,23,24)
• InChIKey: CIFZTJFBDLIEOW-UHFFFAOYSA-N

Properties

• Density: 1.658g/cm³ (Cal.)
• Boiling point: 846.159°C at 760 mmHg (Cal.)
• Flash point: 465.54°C (Cal.)