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Substance Name: 1H-Imidazole, 1-(2-((2-chlorophenoxy)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
RN: 71820-99-0
InChIKey: WFLAFDYAOCFTOZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-Cl3-N2-O2.H-N-O3

Molecular Weight

  • 460.6994
 
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Names and Synonyms

Synonyms

  • 1-(2-((2-Chlorophenoxy)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole mononitrate
  • 1-beta-(2-Chlorphenoxymethoxy-2,4-dichlorphenaethyl)-imidazol-nitrat
  • 1-beta-(2-Chlorphenoxymethoxy-2,4-dichlorphenaethyl)-imidazol-nitrat [German]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71820-99-0

System Generated Number

  • 0071820990

Molecular Formulas

Molecular Formula

  • C18-H15-Cl3-N2-O2.H-N-O3

Molecular Formula Fragments

  • C18-H15-Cl3-N2-O2
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C18H15Cl3N2O2.HNO3/c19-13-5-6-14(16(21)9-13)18(10-23-8-7-22-11-23)25-12-24-17-4-2-1-3-15(17)20;2-1(3)4/h1-9,11,18H,10,12H2;(H,2,3,4)

InChIKey

WFLAFDYAOCFTOZ-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)OCOC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   European Patent Application. Vol. #0001654,