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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-, trans-
RN: 98519-33-6
InChIKey: ITACZRXGTMPYNT-KDURUIRLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-O3

Molecular Weight

  • 341.4087
 
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Names and Synonyms

Synonyms

  • trans-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole
  • trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5-methyl-5-propyl-1,3-dioxan

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-, trans-

Registry Numbers

CAS Registry Number

  • 98519-33-6

System Generated Number

  • 0098519336

Structure Descriptors

InChI

1S/C19H23N3O3/c1-3-8-18(2)11-23-19(24-12-18,10-22-14-20-13-21-22)17-9-15-6-4-5-7-16(15)25-17/h4-7,9,13-14H,3,8,10-12H2,1-2H3/t18-,19+

InChIKey

ITACZRXGTMPYNT-KDURUIRLSA-N

Smiles

CCC[C@]1(CO[C@](OC1)(c2oc3c(c2)cccc3)Cn4ncnc4)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,