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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-, compd. with copper (2+) sulfate (1:1:1)
RN: 98710-86-2
InChIKey: UEVUYPLHPCWCGW-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N3-O3.Cu-O4-S

Molecular Weight

  • 490.9779
 
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Names and Synonyms

  • 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-, compd. with copper (2+) sulfate (1:1:1)

Registry Numbers

CAS Registry Number

  • 98710-86-2

System Generated Number

  • 0098710862

Molecular Formulas

Molecular Formula

  • C17-H19-N3-O3.Cu-O4-S

Molecular Formula Fragments

  • C17-H19-N3-O3
  • COMPONENT
  • Cu-O4-S

Structure Descriptors

InChI

1S/C17H19N3O3.Cu.H2O4S.H2O/c1-16(2)9-21-17(22-10-16,8-20-12-18-11-19-20)15-7-13-5-3-4-6-14(13)23-15;;1-5(2,3)4;/h3-7,11-12H,8-10H2,1-2H3;;(H2,1,2,3,4);1H2/q;+2;;/p-2

InChIKey

UEVUYPLHPCWCGW-UHFFFAOYSA-L

Smiles

CC1(COC(OC1)(Cn2cncn2)c3cc4ccccc4o3)C.O.[O-]S(=O)(=O)[O-].[Cu+2]

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,