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Substance Name: 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-
RN: 98532-83-3
InChIKey: FZLVHAJCOZSNSP-MLGOLLRUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N3-O3

Molecular Weight

  • 299.3283
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98532-83-3

System Generated Number

  • 0098532833

Structure Descriptors

InChI

1S/C16H17N3O3/c1-12-6-7-20-16(22-12,9-19-11-17-10-18-19)15-8-13-4-2-3-5-14(13)21-15/h2-5,8,10-12H,6-7,9H2,1H3/t12-,16-/m1/s1

InChIKey

FZLVHAJCOZSNSP-MLGOLLRUSA-N

Smiles

C[C@@H]1CCO[C@@](O1)(Cn2cncn2)c3cc4ccccc4o3

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,