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Substance Name: Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-
RN: 87236-39-3
InChIKey: MNJJGQZQQPHWAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H14-N6-O2-S

Molecular Weight

  • 426.4586
 
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Names and Synonyms

Synonyms

  • 5-Nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)quinoline
  • BRN 5654173

Systematic Name

  • Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-

Registry Numbers

CAS Registry Number

  • 87236-39-3

System Generated Number

  • 0087236393

Structure Descriptors

InChI

1S/C22H14N6O2S/c29-28(30)18-8-9-19(20-17(18)7-4-12-24-20)31-22-26-25-21(15-10-13-23-14-11-15)27(22)16-5-2-1-3-6-16/h1-14H

InChIKey

MNJJGQZQQPHWAV-UHFFFAOYSA-N

Smiles

c1ccc(cc1)n2c(nnc2Sc3ccc(c4c3nccc4)[N+](=O)[O-])c5ccncc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 148mg/kg (148mg/kg)   Russian Pharmacology and Toxicology Vol. 46, Pg. 177, 1983.