Cefiderocol
[CAS# 1225208-94-5]

Identification

• Name: Cefiderocol
• Synonyms: S-649266; S 649266; S649266; Cefiderocol; (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetamido]-3-({1-[2-(2-chloro-3,4-dihydroxybenzamido)ethyl]pyrrolidin-1-ium-1-yl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; S649266
• Molecular Formula: C₃₀H₃₄ClN₇O₁₀S₂
• Molecular Weight: 752.22
• CAS Registry Number: 1225208-94-5
• SMILES: CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)\c5csc(N)n5)C(=O)O
• InChI: 1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t2
• InChIKey: DBPPRLRVDVJOCL-FQRUVTKNSA-N

Properties

• solubility: Soluble in DMSO