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Substance Name: 1H-Imidazole, 1-(2-(((4-bromo-3-methylphenyl)thio)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
RN: 71821-21-1
InChIKey: XDLUWXSJVATOKW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-Br-Cl2-N2-O2-S.H-N-O3

Molecular Weight

  • 535.2442
 
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Names and Synonyms

Synonyms

  • 1-beta-(4-Brom-3-methylphenylthiomethoxy-2,4-dichlorphenaethyl)-imidazol-nitrat
  • 1-beta-(4-Brom-3-methylphenylthiomethoxy-2,4-dichlorphenaethyl)-imidazol-nitrat [German]

Systematic Name

  • 1H-Imidazole, 1-(2-(((4-bromo-3-methylphenyl)thio)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate

Registry Numbers

CAS Registry Number

  • 71821-21-1

System Generated Number

  • 0071821211

Molecular Formulas

Molecular Formula

  • C19-H17-Br-Cl2-N2-O2-S.H-N-O3

Molecular Formula Fragments

  • C19-H17-Br-Cl2-N2-O2-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C19H17BrCl2N2OS.HNO3/c1-13-8-15(3-5-17(13)20)26-12-25-19(10-24-7-6-23-11-24)16-4-2-14(21)9-18(16)22;2-1(3)4/h2-9,11,19H,10,12H2,1H3;(H,2,3,4)

InChIKey

XDLUWXSJVATOKW-UHFFFAOYSA-N

Smiles

Cc1cc(ccc1Br)SCOC(Cn2ccnc2)c3ccc(cc3Cl)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,