Sodium (6R-trans)-3-(Acetoxymethyl)-7-[(3,5-Dichloro-4-Oxo-1(4H)-Pyridyl)Acetamido]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 67763-91-1]

Identification

• Name: Sodium (6R-trans)-3-(Acetoxymethyl)-7-[(3,5-Dichloro-4-Oxo-1(4H)-Pyridyl)Acetamido]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-3-(Acetoxymethyl)-7-[[2-(3,5-Dichloro-4-Oxo-1-Pyridyl)Acetyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-3-(Acetoxymethyl)-7-[[2-(3,5-Dichloro-4-Oxo-1-Pyridyl)-1-Oxoethyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-3-(Acetoxymethyl)-7-[[2-(3,5-Dichloro-4-Keto-1-Pyridyl)Acetyl]Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₁₇H₁₄Cl₂N₃NaO₇S
• Molecular Weight: 498.27
• CAS Registry Number: 67763-91-1
• EINECS: 267-046-3
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CN3C=C(Cl)C(=O)C(=C3)Cl)C([O-])=O)COC(=O)C.[Na+]
• InChI: 1S/C17H15Cl2N3O7S.Na/c1-7(23)29-5-8-6-30-16-12(15(26)22(16)13(8)17(27)28)20-11(24)4-21-2-9(18)14(25)10(19)3-21;/h2-3,12,16H,4-6H2,1H3,(H,20,24)(H,27,28);/q;+1/p-1/t12-,16-;/m1./s1
• InChIKey: GGPBSYNZYHEHSG-VQZRABBESA-M

Properties

• Boiling point: 787.8°C at 760 mmHg (Cal.)
• Flash point: 430.2°C (Cal.)