Sodium (6R,7R)-3-[(1-Methyltetrazol-5-Yl)Sulfanylmethyl]-8-Oxo-7-[[2-(Trifluoromethylsulfanyl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 52123-49-6]

Identification

• Name: Sodium (6R,7R)-3-[(1-Methyltetrazol-5-Yl)Sulfanylmethyl]-8-Oxo-7-[[2-(Trifluoromethylsulfanyl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-3-[[(1-Methyl-5-Tetrazolyl)Thio]Methyl]-8-Oxo-7-[[1-Oxo-2-(Trifluoromethylthio)Ethyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-8-Keto-3-[[(1-Methyltetrazol-5-Yl)Thio]Methyl]-7-[[2-(Trifluoromethylthio)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-3-[(1-Methyl-1,2,3,4-Tetrazol-5-Yl)Sulfanylmethyl]-8-Oxo-7-[2-(Trifluoromethylsulfanyl)Ethanoylamino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₁₃H₁₂F₃N₆NaO₄S₃
• Molecular Weight: 492.44
• CAS Registry Number: 52123-49-6
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CSC(F)(F)F)C([O-])=O)CSC3=NN=N[N]3C.[Na+]
• InChI: 1S/C13H13F3N6O4S3.Na/c1-21-12(18-19-20-21)28-3-5-2-27-10-7(9(24)22(10)8(5)11(25)26)17-6(23)4-29-13(14,15)16;/h7,10H,2-4H2,1H3,(H,17,23)(H,25,26);/q;+1/p-1/t7-,10-;/m1./s1
• InChIKey: OTPDSOBPIAYYBT-YZUKSGEXSA-M