Sodium (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(2-Methyl-1-Oxido-1-Oxopropan-2-Yl)Oxyiminoacetyl]Amino]-8-Oxo-3-(Pyridin-1-Ium-1-Ylmethyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 73547-61-2]

Identification

• Name: Sodium (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(2-Methyl-1-Oxido-1-Oxopropan-2-Yl)Oxyiminoacetyl]Amino]-8-Oxo-3-(Pyridin-1-Ium-1-Ylmethyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-(1,1-Dimethyl-2-Oxido-2-Oxo-Ethoxy)Imino-Acetyl]Amino]-8-Oxo-3-(Pyridin-1-Ium-1-Ylmethyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[[(2E)-2-(2-Amino-4-Thiazolyl)-2-(1,1-Dimethyl-2-Oxido-2-Oxoethoxy)Imino-1-Oxoethyl]Amino]-8-Oxo-3-(1-Pyridin-1-Iumylmethyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-(2-Keto-1,1-Dimethyl-2-Oxido-Ethoxy)Imino-Acetyl]Amino]-8-Keto-3-(Pyridin-1-Ium-1-Ylmethyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₂₂H₂₁N₆NaO₇S₂
• Molecular Weight: 568.55
• CAS Registry Number: 73547-61-2
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C([O-])=O)(C)C)/C3=CSC(=N3)N)C([O-])=O)C[N+]4=CC=CC=C4.[Na+]
• InChI: 1S/C22H22N6O7S2.Na/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);/q;+1/p-1/b26-13+;/t14-,18-;/m1./s1
• InChIKey: JEEWDSDYUSEQML-ITVNLQBNSA-M