Sodium (2S,5R,6R)-6-[[1-(4-Chlorophenyl)Cyclopentanecarbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 143407-69-6]

Identification

• Name: Sodium (2S,5R,6R)-6-[[1-(4-Chlorophenyl)Cyclopentanecarbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: Sodium (2S,5R,6R)-6-[[[1-(4-Chlorophenyl)Cyclopentyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-6-[[1-(4-Chlorophenyl)Cyclopentanecarbonyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-6-[[1-(4-Chlorophenyl)Cyclopentyl]Carbonylamino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₀H₂₂ClN₂NaO₄S
• Molecular Weight: 444.91
• CAS Registry Number: 143407-69-6
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C4(C3=CC=C(Cl)C=C3)CCCC4)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C20H23ClN2O4S.Na/c1-19(2)14(17(25)26)23-15(24)13(16(23)28-19)22-18(27)20(9-3-4-10-20)11-5-7-12(21)8-6-11;/h5-8,13-14,16H,3-4,9-10H2,1-2H3,(H,22,27)(H,25,26);/q;+1/p-1/t13-,14+,16-;/m1./s1
• InChIKey: HIBDEEIXYWMWQG-CFDZSLPFSA-M

Properties

• Boiling point: 698.9°C at 760 mmHg (Cal.)
• Flash point: 376.5°C (Cal.)