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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-, monohydrochloride
RN: 98518-98-0
InChIKey: SDIPTCBXBABUAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N3-O3.Cl-H

Molecular Weight

  • 321.7624
 
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Names and Synonyms

Synonym

  • 1-((2-(2-Benzofuranyl)-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole monohydrochloride

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 98518-98-0

System Generated Number

  • 0098518980

Molecular Formulas

Molecular Formula

  • C15-H15-N3-O3.Cl-H

Molecular Formula Fragments

  • C15-H15-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H15N3O3.ClH/c1-2-5-13-12(4-1)8-14(21-13)15(19-6-3-7-20-15)9-18-11-16-10-17-18;/h1-2,4-5,8,10-11H,3,6-7,9H2;1H

InChIKey

SDIPTCBXBABUAN-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)cc(o2)C3(OCCCO3)Cn4cncn4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0130151,
rat LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0130151,