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Substance Name: Ethanol, 2-((1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)thio)-, mononitrate
RN: 71821-24-4
InChIKey: GXYCWQLLMKOLPQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-Cl2-N2-O-S.H-N-O3

Molecular Weight

  • 364.1835
 
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Names and Synonyms

Synonyms

  • 1-beta-(2,4-Dichlorphenaethyl-beta'-hydroxyaethylthio)-imidazol-nitrat
  • 1-beta-(2,4-Dichlorphenaethyl-beta'-hydroxyaethylthio)-imidazol-nitrat [German]
  • 2-((1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)thio)ethanol mononitrate

Systematic Name

  • Ethanol, 2-((1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)thio)-, mononitrate

Registry Numbers

CAS Registry Number

  • 71821-24-4

System Generated Number

  • 0071821244

Molecular Formulas

Molecular Formula

  • C13-H14-Cl2-N2-O-S.H-N-O3

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C13H14Cl2N2O2.HNO3/c14-10-1-2-11(12(15)7-10)13(19-6-5-18)8-17-4-3-16-9-17;2-1(3)4/h1-4,7,9,13,18H,5-6,8H2;(H,2,3,4)

InChIKey

GXYCWQLLMKOLPQ-UHFFFAOYSA-N

Smiles

c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)OCCO.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1300mg/kg (1300mg/kg)   European Patent Application. Vol. #0001654,