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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-((5-(phenylmethyl)-1H-1,2,4-triazol-3-yl)thio)-, monohydrobromide
RN: 87236-34-8
InChIKey: HRJVUJSQHUYGFV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-N5-O-S.Br-H

Molecular Weight

  • 458.382
 
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Names and Synonyms

Synonyms

  • 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide
  • Antipyrine, 4-((5-benzyl-4H-1,2,4-triazol-3-yl)thio)-, hydrobromide

Systematic Name

  • 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-((5-(phenylmethyl)-1H-1,2,4-triazol-3-yl)thio)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 87236-34-8

System Generated Number

  • 0087236348

Molecular Formulas

Molecular Formula

  • C20-H19-N5-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H19-N5-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H19N5OS.BrH/c1-14-18(19(26)25(24(14)2)16-11-7-4-8-12-16)27-20-21-17(22-23-20)13-15-9-5-3-6-10-15;/h3-12H,13H2,1-2H3,(H,21,22,23);1H

InChIKey

HRJVUJSQHUYGFV-UHFFFAOYSA-N

Smiles

Cc1c(c(=O)n(n1C)c2ccccc2)Sc3nc([nH]n3)Cc4ccccc4.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 224mg/kg (224mg/kg)   Russian Pharmacology and Toxicology Vol. 46, Pg. 177, 1983.