Sodium (6S,7S)-3-(Acetoxymethyl)-8-Oxo-7-[(1H-Tetrazol-1-Ylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 27164-45-0]

Identification

• Name: Sodium (6S,7S)-3-(Acetoxymethyl)-8-Oxo-7-[(1H-Tetrazol-1-Ylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: sodium (6R-trans)-3-(acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• Molecular Formula: C₁₃H₁₃N₆NaO₆S
• Molecular Weight: 404.33
• CAS Registry Number: 27164-45-0
• EINECS: 248-277-9
• SMILES: [Na+].[O-]C(=O)C=2N3C(=O)[C@H](NC(=O)Cn1cnnn1)[C@@H]3SCC=2COC(C)=O
• InChI: 1S/C13H14N6O6S.Na/c1-6(20)25-3-7-4-26-12-9(11(22)19(12)10(7)13(23)24)15-8(21)2-18-5-14-16-17-18;/h5,9,12H,2-4H2,1H3,(H,15,21)(H,23,24);/q;+1/p-1/t9-,12-;/m0./s1
• InChIKey: AEUAWKRFSWQUSM-CSDGMEMJSA-M

Properties

• Refractive index: (Cal.)