Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: KB 5246
RN: 119474-55-4
InChIKey: URZNPRNEDQSWGC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-F-N3-O4-S.Cl-H

Molecular Weight

  • 427.882
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • KB 5246

Synonym

  • KB-5246

Systematic Name

  • 3H,8H-4-Oxa-1-thia-9b-azacyclopenta(cd)phenalene-9-carboxylic acid, 6-fluoro-5-(4-methyl-1-piperazinyl)-8-oxo-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 119474-55-4

System Generated Number

  • 0119474554

Molecular Formulas

Molecular Formula

  • C18-H16-F-N3-O4-S.Cl-H

Molecular Formula Fragments

  • C18-H16-F-N3-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18FN3O4S.ClH/c1-21-2-4-22(5-3-21)15-14(19)8-6-10(23)13(18(24)25)17-11(8)12-9(20-27-17)7-26-16(12)15;/h11-12H,2-7H2,1H3,(H,24,25);1H

InChIKey

URZNPRNEDQSWGC-UHFFFAOYSA-N

Smiles

S1N=C2[C@@H]3C(=C(C(=C4CC(C(=C1[C@@H]34)C(=O)O)=O)F)N1CCN(CC1)C)OC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 237mg/kg (237mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 94, 1992.
mouse LD50 oral 1231mg/kg (1231mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 94, 1992.