7-(-2-(2-Aminothiazol-4-yl)-2-(3-(3-hydroxy-4-pyridon-1-yl)-3-carboxypropoxyimino)acetamido)-3-(1,2,3-thiadiazol-5-yl)-thiomethyl-3-cephem-4-carboxylic acid
[CAS# 133162-45-5]

Identification

• Name: 7-(-2-(2-Aminothiazol-4-yl)-2-(3-(3-hydroxy-4-pyridon-1-yl)-3-carboxypropoxyimino)acetamido)-3-(1,2,3-thiadiazol-5-yl)-thiomethyl-3-cephem-4-carboxylic acid
• Synonyms: (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-[(3S)-4-Hydroxy-3-(3-Hydroxy-4-Oxo-1-Pyridyl)-4-Oxo-Butoxy]Imino-Acetyl]Amino]-8-Oxo-3-(Thiadiazol-5-Ylsulfanylmethyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2E)-2-(2-Amino-4-Thiazolyl)-2-[(3S)-4-Hydroxy-3-(3-Hydroxy-4-Oxo-1-Pyridyl)-4-Oxobutoxy]Imino-1-Oxoethyl]Amino]-8-Oxo-3-[(5-Thiadiazolylthio)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-[(3S)-4-Hydroxy-3-(3-Hydroxy-4-Keto-1-Pyridyl)-4-Keto-Butoxy]Imino-Acetyl]Amino]-8-Keto-3-[(Thiadiazol-5-Ylthio)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₂₄H₂₂N₈O₉S₄
• Molecular Weight: 694.73
• CAS Registry Number: 133162-45-5
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC[C@H](N3C=C(O)C(=O)C=C3)C(=O)O)/C4=CSC(=N4)N)C(=O)O)CSC5=CN=NS5
• InChI: 1S/C24H22N8O9S4/c25-24-27-11(9-44-24)16(29-41-4-2-12(22(37)38)31-3-1-13(33)14(34)6-31)19(35)28-17-20(36)32-18(23(39)40)10(8-43-21(17)32)7-42-15-5-26-30-45-15/h1,3,5-6,9,12,17,21,34H,2,4,7-8H2,(H2,25,27)(H,28,35)(H,37,38)(H,39,40)/b29-16+/t12-,17+,21+/m0/s1
• InChIKey: UFDSWFPMQKYCKL-XNTYYDGPSA-N

Properties

• Density: 1.93g/cm³ (Cal.)