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Substance Name: 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((methylthio)methoxy)ethyl)-, mononitrate
RN: 71821-11-9
InChIKey: AJKJXDZLJKGQDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-Cl2-N2-O2-S.H-N-O3

Molecular Weight

  • 380.2505
 
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Names and Synonyms

Synonyms

  • 1-(2-(2,4-Dichlorophenyl)-2-((methylthio)methoxy)ethyl)-1H-imidazole mononitrate
  • 1-beta-(Methylthiomethoxy-2,4-dichlorphenaethyl)-imidazol-nitrat
  • 1-beta-(Methylthiomethoxy-2,4-dichlorphenaethyl)-imidazol-nitrat [German]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71821-11-9

System Generated Number

  • 0071821119

Molecular Formulas

Molecular Formula

  • C13-H14-Cl2-N2-O2-S.H-N-O3

Molecular Formula Fragments

  • C13-H14-Cl2-N2-O2-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C13H14Cl2N2OS.HNO3/c1-19-9-18-13(7-17-5-4-16-8-17)11-3-2-10(14)6-12(11)15;2-1(3)4/h2-6,8,13H,7,9H2,1H3;(H,2,3,4)

InChIKey

AJKJXDZLJKGQDA-UHFFFAOYSA-N

Smiles

CSCOC(Cn1ccnc1)c2ccc(cc2Cl)Cl.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 950mg/kg (950mg/kg)   European Patent Application. Vol. #0001654,