Ceftolozane

CAS Registry Number®

689293-68-3
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CAS Name

Ceftolozane

Molecular Formula

C23H30N12O8S2

Cite this Page

Ceftolozane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=689293-68-3 (retrieved 2024-03-29) (CAS RN: 689293-68-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1

InChIKey

InChIKey=JHFNIHVVXRKLEF-DCZLAGFPSA-N

SMILES

C([O-])(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC(C(O)=O)(C)C)/C3=NSC(N)=N3)=O)C2=O)(SCC1C[N+]4=CC(NC(NCCN)=O)=C(N)N4C)[H]

Canonical SMILES

O=C([O-])C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC(C(=O)O)(C)C)C3=NSC(=N3)N)C[N+]4=CC(NC(=O)NCCN)=C(N)N4C

Other Names for this Substance

  • 1H-Pyrazolium, 5-amino-4-[[[(2-aminoethyl)amino]carbonyl]amino]-2-[[(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-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-methyl-, inner salt
  • Ceftolozane
  • CXA 101