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Substance Name: 1H-1,2,4-Triazolium, 4-anilino-1-phenyl-, chloride
RN: 2084-33-5
InChIKey: SGHSSHMDXPVBJQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N4.Cl

Molecular Weight

  • 272.738
 
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Names and Synonyms

Synonym

  • 4-Anilino-1-phenyl-1H-1,2,4-triazolium chloride

Systematic Name

  • 1H-1,2,4-Triazolium, 4-anilino-1-phenyl-, chloride

Registry Numbers

CAS Registry Number

  • 2084-33-5

System Generated Number

  • 0002084335

Molecular Formulas

Molecular Formula

  • C14-H13-N4.Cl

Molecular Formula Fragments

  • C14-H13-N4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C14H13N4.ClH/c1-3-7-13(8-4-1)16-17-11-15-18(12-17)14-9-5-2-6-10-14;/h1-12,16H;1H/q+1;/p-1

InChIKey

SGHSSHMDXPVBJQ-UHFFFAOYSA-M

Smiles

[n+]1(ncn(c1)Nc1ccccc1)c1ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 814, 1964.