Sodium (6R,7R)-3-(Acetyloxymethyl)-7-[[1-(4-Chlorophenyl)Cyclopentanecarbonyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 143407-77-6]

Identification

• Name: Sodium (6R,7R)-3-(Acetyloxymethyl)-7-[[1-(4-Chlorophenyl)Cyclopentanecarbonyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-3-(Acetoxymethyl)-7-[[1-(4-Chlorophenyl)Cyclopentanecarbonyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-3-(Acetoxymethyl)-7-[[[1-(4-Chlorophenyl)Cyclopentyl]-Oxomethyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-3-(Acetoxymethyl)-7-[[1-(4-Chlorophenyl)Cyclopentanecarbonyl]Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₂₂H₂₂ClN₂NaO₆S
• Molecular Weight: 500.93
• CAS Registry Number: 143407-77-6
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C4(C3=CC=C(Cl)C=C3)CCCC4)C([O-])=O)COC(=O)C.[Na+]
• InChI: 1S/C22H23ClN2O6S.Na/c1-12(26)31-10-13-11-32-19-16(18(27)25(19)17(13)20(28)29)24-21(30)22(8-2-3-9-22)14-4-6-15(23)7-5-14;/h4-7,16,19H,2-3,8-11H2,1H3,(H,24,30)(H,28,29);/q;+1/p-1/t16-,19-;/m1./s1
• InChIKey: BROBJXPRJZPKJJ-LJLRIERRSA-M

Properties

• Boiling point: 772.1°C at 760 mmHg (Cal.)
• Flash point: 420.8°C (Cal.)