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Substance Name: 1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, cis-
RN: 98532-66-2
InChIKey: QFEMPCGCIHFAAX-MLGOLLRUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-Cl2-N3-O3

Molecular Weight

  • 368.2185
 
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Names and Synonyms

Synonym

  • cis-2-(5,7-Dichlor-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-ethyl-1,3-dioxolan

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, cis-

Registry Numbers

CAS Registry Number

  • 98532-66-2

System Generated Number

  • 0098532662

Structure Descriptors

InChI

1S/C16H15Cl2N3O3/c1-2-12-6-22-16(24-12,7-21-9-19-8-20-21)14-4-10-3-11(17)5-13(18)15(10)23-14/h3-5,8-9,12H,2,6-7H2,1H3/t12-,16-/m1/s1

InChIKey

QFEMPCGCIHFAAX-MLGOLLRUSA-N

Smiles

CC[C@@H]1CO[C@@](O1)(Cn2cncn2)c3cc4cc(cc(c4o3)Cl)Cl

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,