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Substance Name: 1H-Imidazole, 1-(2-(3-((4-chlorophenyl)thio)propoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
RN: 71821-44-8
InChIKey: ILERVTWMPFBBRI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-Cl3-N2-O-S.H-N-O3

Molecular Weight

  • 504.82
 
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Names and Synonyms

Synonyms

  • 1-(2-(3-((4-Chlorophenyl)thio)propoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate
  • 1-(beta-(3-(p-Chlorphenylthio)-propoxy-2,4-dichlorphenaethyl))-imidazol-nitrat
  • 1-(beta-(3-(p-Chlorphenylthio)-propoxy-2,4-dichlorphenaethyl))-imidazol-nitrat [German]

Systematic Name

  • 1H-Imidazole, 1-(2-(3-((4-chlorophenyl)thio)propoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate

Registry Numbers

CAS Registry Number

  • 71821-44-8

System Generated Number

  • 0071821448

Molecular Formulas

Molecular Formula

  • C20-H19-Cl3-N2-O-S.H-N-O3

Molecular Formula Fragments

  • C20-H19-Cl3-N2-O-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C20H19Cl3N2OS.HNO3/c21-15-2-5-17(6-3-15)27-11-1-10-26-20(13-25-9-8-24-14-25)18-7-4-16(22)12-19(18)23;2-1(3)4/h2-9,12,14,20H,1,10-11,13H2;(H,2,3,4)

InChIKey

ILERVTWMPFBBRI-UHFFFAOYSA-N

Smiles

c1cc(ccc1SCCCOC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4300mg/kg (4300mg/kg)   Annals of the New York Academy of Sciences. Vol. 544, Pg. 63, 1988.