Sodium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[2-[3-(Trifluoromethyl)Phenoxy]Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 146554-88-3]

Identification

• Name: Sodium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[2-[3-(Trifluoromethyl)Phenoxy]Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: Sodium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-[3-(Trifluoromethyl)Phenoxy]Ethyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[[2-[3-(Trifluoromethyl)Phenoxy]Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[2-[3-(Trifluoromethyl)Phenoxy]Ethanoylamino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₁₇H₁₆F₃N₂NaO₅S
• Molecular Weight: 440.37
• CAS Registry Number: 146554-88-3
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC(=C3)C(F)(F)F)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C17H17F3N2O5S.Na/c1-16(2)12(15(25)26)22-13(24)11(14(22)28-16)21-10(23)7-27-9-5-3-4-8(6-9)17(18,19)20;/h3-6,11-12,14H,7H2,1-2H3,(H,21,23)(H,25,26);/q;+1/p-1/t11-,12+,14-;/m1./s1
• InChIKey: KUGOSENXVZZMGE-LQDWTQKMSA-M

Properties

• Boiling point: 670.1°C at 760 mmHg (Cal.)
• Flash point: 359.1°C (Cal.)