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Substance Name: 1H-1,2,4-Triazole, 1-((2-(5,7-dimethoxy-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-
RN: 98532-69-5
InChIKey: MARZMUKQVNRKLD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N3-O5

Molecular Weight

  • 331.3263
 
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Names and Synonyms

Synonyms

  • 1-((2-(5,7-Dimethoxy-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole
  • 2-(5,7-Dimethoxy-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-1,3-dioxolan
  • 2-(5,7-Dimethoxy-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-1,3-dioxolan [German]

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(5,7-dimethoxy-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 98532-69-5

System Generated Number

  • 0098532695

Structure Descriptors

InChI

1S/C16H17N3O5/c1-20-12-5-11-6-14(24-15(11)13(7-12)21-2)16(22-3-4-23-16)8-19-10-17-9-18-19/h5-7,9-10H,3-4,8H2,1-2H3

InChIKey

MARZMUKQVNRKLD-UHFFFAOYSA-N

Smiles

COc1cc2cc(oc2c(c1)OC)C3(OCCO3)Cn4cncn4

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,