(6R)-7-{[(2-Amino-1,3-Thiazol-4-Yl){[(2-Carboxy-2-Propanyl)Oxy]Imino}Acetyl]Amino}-3-[3-(5,6-Dihydroxy-1H-Benzimidazol-1-Yl)-1-Propen-1-Yl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 141777-20-0]

Identification

• Name: (6R)-7-{[(2-Amino-1,3-Thiazol-4-Yl){[(2-Carboxy-2-Propanyl)Oxy]Imino}Acetyl]Amino}-3-[3-(5,6-Dihydroxy-1H-Benzimidazol-1-Yl)-1-Propen-1-Yl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: 7-(2-(2-aminothiazol-4-yl)-2- (1-carboxy-1-methylethoxyimino)acetamido)-3-(3-(5,6-dihydroxybenzimidazol-1-yl)propen-1-yl)-3-cephem-4-carboxylic acid
• Molecular Formula: C₂₆H₂₅N₇O₉S₂
• Molecular Weight: 643.65
• CAS Registry Number: 141777-20-0
• SMILES: CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC2[C@@H]3N(C2=O)C(=C(CS3)C=CCn4cnc5c4cc(c(c5)O)O)C(=O)O
• InChI: 1S/C26H25N7O9S2/c1-26(2,24(40)41)42-31-17(13-9-44-25(27)29-13)20(36)30-18-21(37)33-19(23(38)39)11(8-43-22(18)33)4-3-5-32-10-28-12-6-15(34)16(35)7-14(12)32/h3-4,6-7,9-10,18,22,34-35H,5,8H2,1-2H3,(H2,27,29)(H,30,36)(H,38,39)(H,40,41)/t18?,22-/m1/s1
• InChIKey: FQDBAKKHBXATJA-LMNIDFBRSA-N

Properties

• Density: 1.777g/cm³ (Cal.)
• Refractive index: 1.806 (Cal.)