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Substance Name: Cefiderocol sulfate tosylate
RN: 2009350-94-9
UNII: 2V3QJ9TGE5
InChIKey: LTUONTFKVOUYHB-SDAZKDLGSA-N

Molecular Formula

  • 3C30-H35-Cl-N7-O10-S2.3C7-H8-O3-S.C7-H7-O3-S.O4-S

Molecular Weight

  • 3043.5295
 
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Names and Synonyms

Name of Substance

  • Cefiderocol sulfate tosylate

Synonym

  • UNII-2V3QJ9TGE5

Registry Numbers

CAS Registry Number

  • 2009350-94-9

FDA UNII

  • 2V3QJ9TGE5

System Generated Number

  • 2009350949

Structure Descriptors

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

InChIKey

LTUONTFKVOUYHB-SDAZKDLGSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.Cc3ccc(cc3)S(=O)(=O)O.Cc4ccc(cc4)S(=O)(=O)[O-].CC(C)(O\N=C(/C(=O)N[C@H]5[C@H]6SCC(=C(N6C5=O)C(=O)O)C[N+]7(CCNC(=O)c8ccc(O)c(O)c8Cl)CCCC7)\c9csc(N)n9)C(=O)O.CC(C)(O\N=C(/C(=O)N[C@H]%10[C@H]%11SCC(=C(N%11C%10=O)C(=O)O)C[N+]%12(CCNC(=O)c%13ccc(O)c(O)c%13Cl)CCCC%12)\c%14csc(N)n%14)C(=O)O.CC(C)(O\N=C(/C(=O)N[C@H]%15[C@H]%16SCC(=C(N%16C%15=O)C(=O)O)C[N+]%17(CCNC(=O)c%18ccc(O)c(O)c%18Cl)CCCC%17)\c%19csc(N)n%19)C(=O)O.[O-]S(=O)(=O)[O-]