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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-
RN: 98532-75-3
InChIKey: BDTUYKOVRKTPEU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N3-O3

Molecular Weight

  • 313.3551
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98532-75-3

System Generated Number

  • 0098532753

Structure Descriptors

InChI

1S/C17H19N3O3/c1-16(2)9-21-17(22-10-16,8-20-12-18-11-19-20)15-7-13-5-3-4-6-14(13)23-15/h3-7,11-12H,8-10H2,1-2H3

InChIKey

BDTUYKOVRKTPEU-UHFFFAOYSA-N

Smiles

CC1(COC(OC1)(Cn2cncn2)c3cc4ccccc4o3)C

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,