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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-(phenoxymethyl)-1,3-dioxolan-2-yl)methyl)-, cis-
RN: 98532-72-0
InChIKey: KFXMFRPCEMAZEC-WIYYLYMNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-N3-O4

Molecular Weight

  • 377.3981
 
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Names and Synonyms

Synonyms

  • cis-1-((2-(2-Benzofuranyl)-4-(phenoxymethyl)-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-phenoxymethyl-1,3-dioxolan

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98532-72-0

System Generated Number

  • 0098532720

Structure Descriptors

InChI

1S/C21H19N3O4/c1-2-7-17(8-3-1)25-11-18-12-26-21(28-18,13-24-15-22-14-23-24)20-10-16-6-4-5-9-19(16)27-20/h1-10,14-15,18H,11-13H2/t18-,21-/m1/s1

InChIKey

KFXMFRPCEMAZEC-WIYYLYMNSA-N

Smiles

c1ccc(cc1)OC[C@@H]2CO[C@@](O2)(Cn3cncn3)c4cc5ccccc5o4

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,