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Substance Name: 1H-Imidazole, 1-(2-(3-(4-chlorophenoxy)propoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
RN: 71097-24-0
InChIKey: VQWXUUXZFBZFEJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-Cl3-N2-O2.H-N-O3

Molecular Weight

  • 488.753
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71097-24-0

System Generated Number

  • 0071097240

Molecular Formulas

Molecular Formula

  • C20-H19-Cl3-N2-O2.H-N-O3

Molecular Formula Fragments

  • C20-H19-Cl3-N2-O2
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C20H19Cl3N2O2.HNO3/c21-15-2-5-17(6-3-15)26-10-1-11-27-20(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

VQWXUUXZFBZFEJ-UHFFFAOYSA-N

Smiles

c1cc(ccc1OCCCOC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   Annals of the New York Academy of Sciences. Vol. 544, Pg. 63, 1988.
rat LD50 intravenous 82mg/kg (82mg/kg)   Annals of the New York Academy of Sciences. Vol. 544, Pg. 63, 1988.