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Substance Name: Ceftiolene [INN]
RN: 77360-52-2
UNII: 28TV2P33KF
InChIKey: WJXAHFZIHLTPFR-JLRJEBFFSA-N

Molecular Formula

  • C20-H18-N8-O8-S3

Molecular Weight

  • 594.608
 
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Names and Synonyms

Name of Substance

  • Cefatiolene
  • Ceftiolene [INN]

Synonyms

  • (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-((E)-2-((4-(formylmethyl)-1,4,5,6-tetrahydro-5,6-dioxo-as-triazin-3-yl)thio)vinyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid 7(sup 2)-(Z)-(O-methyloxime)
  • Ceftiolene
  • Ceftiolenum
  • Ceftiolenum [Latin]
  • UNII-28TV2P33KF

Systematic Name

  • (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-((E)-2-((4-(formylmethyl)-1,4,5,6-tetrahydro-5,6-dioxo-as-triazin-3-yl)thio)vinyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid 7(sup 2)-(Z)-(O-methyloxime)

Registry Numbers

CAS Registry Number

  • 77360-52-2

FDA UNII

  • 28TV2P33KF

System Generated Number

  • 0077360522

Structure Descriptors

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

WJXAHFZIHLTPFR-JLRJEBFFSA-N

Smiles

C1(=O)[C@H]([C@H]2SCC(=C(N12)C(=O)O)\C=C\Sc1n(c(c([nH]n1)=O)=O)CC=O)NC(\C(=N/OC)c1csc(n1)N)=O