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Substance Name: 1H-1,2,4-Triazolium, 4-o-toluidino-1-o-tolyl-, chloride
RN: 2240-96-2
InChIKey: WMQJIIMSHONDHI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N4.Cl

Molecular Weight

  • 300.791
 
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Names and Synonyms

Synonym

  • 4-o-Toluidino-1-o-tolyl-1H-1,2,4-triazolium chloride

Systematic Name

  • 1H-1,2,4-Triazolium, 4-o-toluidino-1-o-tolyl-, chloride

Registry Numbers

CAS Registry Number

  • 2240-96-2

System Generated Number

  • 0002240962

Molecular Formulas

Molecular Formula

  • C16-H17-N4.Cl

Molecular Formula Fragments

  • C16-H17-N4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C16H17N4.ClH/c1-13-7-3-5-9-15(13)18-19-11-17-20(12-19)16-10-6-4-8-14(16)2;/h3-12,18H,1-2H3;1H/q+1;/p-1

InChIKey

WMQJIIMSHONDHI-UHFFFAOYSA-M

Smiles

[n+]1(ncn(c1)Nc1c(cccc1)C)c1c(cccc1)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 814, 1964.