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Substance Name: 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, cis-
RN: 98519-04-1
InChIKey: LYAZAPNOXZNNCL-MEBBXXQBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-Cl-N3-O3

Molecular Weight

  • 319.7466
 
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Names and Synonyms

Synonyms

  • cis-1-((2-(5-Chloro-2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole
  • cis-2-(5-Chlor-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-methyl-1,3-dioxolan

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, cis-

Registry Numbers

CAS Registry Number

  • 98519-04-1

System Generated Number

  • 0098519041

Structure Descriptors

InChI

1S/C15H14ClN3O3/c1-10-6-20-15(22-10,7-19-9-17-8-18-19)14-5-11-4-12(16)2-3-13(11)21-14/h2-5,8-10H,6-7H2,1H3/t10-,15-/m1/s1

InChIKey

LYAZAPNOXZNNCL-MEBBXXQBSA-N

Smiles

C[C@@H]1CO[C@@](O1)(Cn2cncn2)c3cc4cc(ccc4o3)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,