cefiderocol tosylate sulfate

More details:

• Systematic name

  (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxy-benzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;p-tolyl;sulfate

• SMILES

  CC(C)(O/N=C(/C1=CSC(N)=N1)\C(=O)N[C@H]1[C@H]2SCC(C[N+]3(CCNC(=O)C4=CC=C(O)C(O)=C4Cl)CCCC3)=C(C(O)=O)N2C1=O)C(O)=O.CC(C)(O/N=C(/C1=CSC(N)=N1)\C(=O)N[C@H]1[C@H]2SCC(C[N+]3(CCNC(=O)C4=CC=C(O)C(O)=C4Cl)CCCC3)=C(C(O)=O)N2C1=O)C(O)=O.CC(C)(O/N=C(/C1=CSC(N)=N1)\C(=O)N[C@H]1[C@H]2SCC(C[N+]3(CCNC(=O)C4=CC=C(O)C(O)=C4Cl)CCCC3)=C(C(O)=O)N2C1=O)C(O)=O.CC1C=CC(=CC=1)S([O-])(=O)=O.CC1C=CC(=CC=1)S(O)(=O)=O.CC1C=CC(=CC=1)S(O)(=O)=O.CC1C=CC(=CC=1)S(O)(=O)=O.[O-]S([O-])(=O)=O

• Std. 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

• Std. InChIKey

  LTUONTFKVOUYHB-SDAZKDLGSA-N

• Cite this record

  CSID:92170589, http://www.chemspider.com/Chemical-Structure.92170589.html (accessed 08:38, Nov 28, 2024)