Pyrrolidinium, 1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]-, inner salt

CAS Registry Number®

1225208-94-5

CAS Name

Pyrrolidinium, 1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]-, inner salt

Molecular Formula

C30H34ClN7O10S2

Cite this Page

Pyrrolidinium, 1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1225208-94-5 (retrieved 2024-11-25) (CAS RN: 1225208-94-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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)/t20-,26-/m1/s1

InChIKey

InChIKey=DBPPRLRVDVJOCL-FQRUVTKNSA-N

SMILES

C([O-])(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC(C(O)=O)(C)C)/C3=CSC(N)=N3)=O)C2=O)(SCC1C[N+]4(CCNC(=O)C5=C(Cl)C(O)=C(O)C=C5)CCCC4)[H]

Canonical SMILES

O=C([O-])C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC(C(=O)O)(C)C)C=3N=C(SC3)N)C[N+]4(CCNC(=O)C5=CC=C(O)C(O)=C5Cl)CCCC4

Other Names for this Substance

  • Pyrrolidinium, 1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]-, inner salt
  • Cefiderocol
  • Fetroja
  • S 649266
  • GSK 2696266

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Deleted or Replaced CAS Registry Numbers

1895940-49-4

CAS INSIGHTSTM
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