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Substance Name: 1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-
RN: 98532-77-5
InChIKey: FPURNXYCHFHEAQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-Cl2-N3-O3

Molecular Weight

  • 382.2453
 
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Names and Synonyms

Synonym

  • 1-((2-(5,7-Dichloro-2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 98532-77-5

System Generated Number

  • 0098532775

Structure Descriptors

InChI

1S/C17H17Cl2N3O3/c1-16(2)7-23-17(24-8-16,6-22-10-20-9-21-22)14-4-11-3-12(18)5-13(19)15(11)25-14/h3-5,9-10H,6-8H2,1-2H3

InChIKey

FPURNXYCHFHEAQ-UHFFFAOYSA-N

Smiles

CC1(COC(OC1)(Cn2cncn2)c3cc4cc(cc(c4o3)Cl)Cl)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,