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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-, cis-
RN: 98532-64-0
InChIKey: XGKPDTIWHMXLPQ-CZUORRHYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N3-O4

Molecular Weight

  • 315.3273
 
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Names and Synonyms

Synonyms

  • cis-1-((2-(2-Benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole
  • cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-methoxymethyl-1,3-dioxolan

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98532-64-0

System Generated Number

  • 0098532640

Structure Descriptors

InChI

1S/C16H17N3O4/c1-20-7-13-8-21-16(23-13,9-19-11-17-10-18-19)15-6-12-4-2-3-5-14(12)22-15/h2-6,10-11,13H,7-9H2,1H3/t13-,16-/m1/s1

InChIKey

XGKPDTIWHMXLPQ-CZUORRHYSA-N

Smiles

COC[C@@H]1CO[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,