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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl)methyl)-, trans-
RN: 98519-37-0
InChIKey: ZIBLQCIVFVPAHQ-MEMLXQNLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-O3

Molecular Weight

  • 369.4623
 
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Names and Synonyms

Synonyms

  • trans-1-((2-(2-Benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole
  • trans-2-(Benzofuran-2-yl)-2-((1H-1,2,4-triazolyl)-methyl)-5-ethyl-5-butyl-1,3-dioxan

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl)methyl)-, trans-

Registry Numbers

CAS Registry Number

  • 98519-37-0

System Generated Number

  • 0098519370

Structure Descriptors

InChI

1S/C21H27N3O3/c1-3-5-10-20(4-2)13-25-21(26-14-20,12-24-16-22-15-23-24)19-11-17-8-6-7-9-18(17)27-19/h6-9,11,15-16H,3-5,10,12-14H2,1-2H3/t20-,21-

InChIKey

ZIBLQCIVFVPAHQ-MEMLXQNLSA-N

Smiles

CCCC[C@]1(CO[C@@](OC1)(c2oc3c(c2)cccc3)Cn4ncnc4)CC

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,