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Substance Name: 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, cis-
RN: 98519-06-3
InChIKey: GKGMLPKHSHONGE-CZUORRHYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-Cl-N3-O3

Molecular Weight

  • 333.7734
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98519-06-3

System Generated Number

  • 0098519063

Structure Descriptors

InChI

1S/C16H16ClN3O3/c1-2-13-7-21-16(23-13,8-20-10-18-9-19-20)15-6-11-5-12(17)3-4-14(11)22-15/h3-6,9-10,13H,2,7-8H2,1H3/t13-,16-/m1/s1

InChIKey

GKGMLPKHSHONGE-CZUORRHYSA-N

Smiles

CC[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,