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Substance Name: Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate
RN: 62604-48-2
InChIKey: OUZVTTBEMJNSAV-MKMNVTDBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-N5-O2-S.H2-O

Molecular Weight

  • 289.3179
 
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Names and Synonyms

Synonyms

  • 2-Formylcinchoninic acid 3-thiocarbazone hydrate
  • 4-Quinolinecarboxylic acid, 2-(((hydrazinothioxomethyl)hydrazono)methyl)-, monohydrate

Systematic Name

  • Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate

Registry Numbers

CAS Registry Number

  • 62604-48-2

System Generated Number

  • 0062604482

Molecular Formulas

Molecular Formula

  • C12-H11-N5-O2-S.H2-O

Molecular Formula Fragments

  • C12-H11-N5-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C12H11N5O2S/c13-16-12(20)17-14-6-7-5-9(11(18)19)8-3-1-2-4-10(8)15-7/h1-6H,13H2,(H,18,19)(H2,16,17,20)/b14-6+

InChIKey

OUZVTTBEMJNSAV-MKMNVTDBSA-N

Smiles

c1ccc2c(c1)c(cc(n2)/C=N/NC(=S)NN)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 106, 1982.