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Substance Name: 1H-1,2,4-Triazolium, 1-(5-hexynyl)-3-((hydroxyimino)methyl)-4-methyl-, chloride
RN: 117983-01-4
InChIKey: BBJPLEQUPVYPAE-YGCVIUNWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N4-O.Cl

Molecular Weight

  • 242.7085
 
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Names and Synonyms

Synonym

  • 1-(Hex-5'-yn-1'-yl)-3-((hydroxyimino)methyl)-4-methyl-1,2,4-triazolium chloride

Systematic Name

  • 1H-1,2,4-Triazolium, 1-(5-hexynyl)-3-((hydroxyimino)methyl)-4-methyl-, chloride

Registry Numbers

CAS Registry Number

  • 117983-01-4

System Generated Number

  • 0117983014

Molecular Formulas

Molecular Formula

  • C10-H15-N4-O.Cl

Molecular Formula Fragments

  • C10-H15-N4-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C10H14N4O.ClH/c1-3-4-5-6-7-14-9-13(2)10(12-14)8-11-15;/h1,8-9H,4-7H2,2H3;1H/b11-8+;

InChIKey

BBJPLEQUPVYPAE-YGCVIUNWSA-N

Smiles

Cn1c[n+](nc1/C=N/O)CCCCC#C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 383mg/kg (383mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.