Sodium (6R,7R)-7-[[1-(4-Bromophenyl)Cyclopentanecarbonyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 143407-75-4]

Identification

• Name: Sodium (6R,7R)-7-[[1-(4-Bromophenyl)Cyclopentanecarbonyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-7-[[[1-(4-Bromophenyl)Cyclopentyl]-Oxomethyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[[1-(4-Bromophenyl)Cyclopentanecarbonyl]Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[[1-(4-Bromophenyl)Cyclopentyl]Carbonylamino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₂₀H₂₀BrN₂NaO₄S
• Molecular Weight: 487.34
• CAS Registry Number: 143407-75-4
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C4(C3=CC=C(Br)C=C3)CCCC4)C([O-])=O)C.[Na+]
• InChI: 1S/C20H21BrN2O4S.Na/c1-11-10-28-17-14(16(24)23(17)15(11)18(25)26)22-19(27)20(8-2-3-9-20)12-4-6-13(21)7-5-12;/h4-7,14,17H,2-3,8-10H2,1H3,(H,22,27)(H,25,26);/q;+1/p-1/t14-,17-;/m1./s1
• InChIKey: BSBNABUSTZEKRE-SATBOSKTSA-M

Properties

• Boiling point: 745.3°C at 760 mmHg (Cal.)
• Flash point: 404.5°C (Cal.)