Cefiderocol sulfate tosylate

• CAT Number: I048002
• CAS Number: 2009350-94-9
• Molecular Formula: C118H136Cl3N21O46S11
• Molecular Weight: 3043.5
• Purity: 98%
• Synonyms: UNII-2V3QJ9TGE5; 2V3QJ9TGE5; Fetroja
• Target: pbpB
• Target Protein: LTUONTFKVOUYHB-SDAZKDLGSA-N
• Appearance: Solid
• IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;sulfate
• InChI: InChI=1S/3C30H34ClN7O10S2.4C7H8O3S.H2O4S/c3*1-30(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;4*1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4/h3*5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47);4*2-5H,1H3,(H,8,9,10);(H2,1,2,3,4)/t3*20-,26-;;;;;/m111...../s1
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)O.CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)O.CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)O.[O-]S(=O)(=O)[O-]

Cefiderocol sulfate tosylate (CAS 2009350-94-9) is a salt formulation of cefiderocol, a fourth-generation cephalosporin antibiotic. Developed to combat multidrug-resistant bacterial infections, cefiderocol exerts its antimicrobial effects by binding to penicillin-binding proteins and inhibiting cell wall synthesis. This compound has demonstrated efficacy against a broad spectrum of Gram-negative bacteria, including strains resistant to other antibiotics. As a sulfate tosylate salt, cefiderocol sulfate tosylate enhances the stability and solubility of the antibiotic.