Ceftiolene

CAS Registry Number®

77360-52-2

CAS Name

Ceftiolene

Molecular Formula

C20H18N8O8S3

Molecular Mass

594.60

Cite this Page

Ceftiolene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77360-52-2 (retrieved 2024-11-22) (CAS RN: 77360-52-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H18N8O8S3/c1-36-26-10(9-7-39-19(21)22-9)13(30)23-11-15(32)28-12(18(34)35)8(6-38-17(11)28)2-5-37-20-25-24-14(31)16(33)27(20)3-4-29/h2,4-5,7,11,17H,3,6H2,1H3,(H2,21,22)(H,23,30)(H,24,31)(H,34,35)/b5-2+,26-10-/t11-,17-/m1/s1

InChIKey

InChIKey=WJXAHFZIHLTPFR-JLRJEBFFSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC)/C3=CSC(N)=N3)=O)C2=O)(SCC1/C=C/SC=4N(CC=O)C(=O)C(=O)NN4)[H]

Canonical SMILES

O=CCN1C(=O)C(=O)NN=C1SC=CC2=C(C(=O)O)N3C(=O)C(NC(=O)C(=NOC)C=4N=C(SC4)N)C3SC2

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[(1E)-2-[[1,4,5,6-tetrahydro-5,6-dioxo-4-(2-oxoethyl)-1,2,4-triazin-3-yl]thio]ethenyl]-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[2-[[1,4,5,6-tetrahydro-5,6-dioxo-4-(2-oxoethyl)-1,2,4-triazin-3-yl]thio]ethenyl]-, [6R-[3(E),6α,7β(Z)]]-
  • (6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[(1E)-2-[[1,4,5,6-tetrahydro-5,6-dioxo-4-(2-oxoethyl)-1,2,4-triazin-3-yl]thio]ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Ceftiolene
  • RP 42980

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration