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Substance Name: 1H-Imidazole, 1-(2-(((4-bromophenyl)thio)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
RN: 71821-15-3
InChIKey: DKMVFPWZAPTTDL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-Br-Cl2-N2-O-S.H-N-O3

Molecular Weight

  • 521.2174
 
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Names and Synonyms

Synonym

  • 1-(2-(((4-Bromophenyl)thio)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71821-15-3

System Generated Number

  • 0071821153

Molecular Formulas

Molecular Formula

  • C18-H15-Br-Cl2-N2-O-S.H-N-O3

Molecular Formula Fragments

  • C18-H15-Br-Cl2-N2-O-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C18H15BrCl2N2OS.HNO3/c19-13-1-4-15(5-2-13)25-12-24-18(10-23-8-7-22-11-23)16-6-3-14(20)9-17(16)21;2-1(3)4/h1-9,11,18H,10,12H2;(H,2,3,4)

InChIKey

DKMVFPWZAPTTDL-UHFFFAOYSA-N

Smiles

c1cc(ccc1SCOC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Br.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 12500mg/kg (12500mg/kg)   Annals of the New York Academy of Sciences. Vol. 544, Pg. 63, 1988.