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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4,4,6-trimethyl-1,3-dioxan-2-yl)methyl)-, cis-
RN: 98532-82-2
InChIKey: JQTASVIHJNIOAT-SCLBCKFNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-O3

Molecular Weight

  • 327.3819
 
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Names and Synonyms

Synonyms

  • cis-1-((2-(2-Benzofuranyl)-4,4,6-trimethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole
  • cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4,4,6-trimethyl-1,3-dioxan
  • cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4,4,6-trimethyl-1,3-dioxan [German]

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4,4,6-trimethyl-1,3-dioxan-2-yl)methyl)-, cis-

Registry Numbers

CAS Registry Number

  • 98532-82-2

System Generated Number

  • 0098532822

Structure Descriptors

InChI

1S/C18H21N3O3/c1-13-9-17(2,3)24-18(23-13,10-21-12-19-11-20-21)16-8-14-6-4-5-7-15(14)22-16/h4-8,11-13H,9-10H2,1-3H3/t13-,18+/m0/s1

InChIKey

JQTASVIHJNIOAT-SCLBCKFNSA-N

Smiles

C[C@H]1CC(O[C@](O1)(Cn2cncn2)c3cc4ccccc4o3)(C)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,