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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-diethyl-1,3-dioxan-2-yl)methyl)-
RN: 98532-81-1
InChIKey: WGJBHZHZDFHDRV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-O3

Molecular Weight

  • 341.4087
 
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Names and Synonyms

Synonyms

  • 1-((2-(2-Benzofuranyl)-5,5-diethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole
  • 2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5,5-diethyl-1,3-dioxan
  • 2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5,5-diethyl-1,3-dioxan [German]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98532-81-1

System Generated Number

  • 0098532811

Structure Descriptors

InChI

1S/C19H23N3O3/c1-3-18(4-2)11-23-19(24-12-18,10-22-14-20-13-21-22)17-9-15-7-5-6-8-16(15)25-17/h5-9,13-14H,3-4,10-12H2,1-2H3

InChIKey

WGJBHZHZDFHDRV-UHFFFAOYSA-N

Smiles

CCC1(COC(OC1)(Cn2cncn2)c3cc4ccccc4o3)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,