Sodium (6S,7S)-7-amino-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
[CAS# 71420-85-4]

Identification

• Name: Sodium (6S,7S)-7-amino-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, sodium salt, (6R-trans)-
• Molecular Formula: C₁₀H₁₁N₆NaO₆S₃
• Molecular Weight: 430.42
• CAS Registry Number: 71420-85-4
• SMILES: C1C(=C(N2[C@@H](S1)[C@H](C2=O)N)C(=O)[O-])CSc3nnnn3CS(=O)(=O)O.[Na+]
• InChI: 1S/C10H12N6O6S3.Na/c11-5-7(17)16-6(9(18)19)4(1-23-8(5)16)2-24-10-12-13-14-15(10)3-25(20,21)22;/h5,8H,1-3,11H2,(H,18,19)(H,20,21,22);/q;+1/p-1/t5-,8-;/m0./s1
• InChIKey: ITZLQMICXIARKK-XMLTWROESA-M