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Substance Name: 1H-Imidazole, 1-(2-(4-((4-chlorophenyl)methyl)phenyl)-2-((methylthio)methoxy)ethyl)-, mononitrate
RN: 71875-66-6
InChIKey: XHYNSOLSOYMVPB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-Cl-N2-O-S.H-N-O3

Molecular Weight

  • 435.9298
 
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Names and Synonyms

Synonyms

  • 1-(beta-Methylthiomethoxy-4-(4'-chlorbenzyl)-phenaethyl)-imidazol-nitrat
  • 1-(beta-Methylthiomethoxy-4-(4'-chlorbenzyl)-phenaethyl)-imidazol-nitrat [German]

Systematic Name

  • 1H-Imidazole, 1-(2-(4-((4-chlorophenyl)methyl)phenyl)-2-((methylthio)methoxy)ethyl)-, mononitrate

Registry Numbers

CAS Registry Number

  • 71875-66-6

System Generated Number

  • 0071875666

Molecular Formulas

Molecular Formula

  • C20-H21-Cl-N2-O-S.H-N-O3

Molecular Formula Fragments

  • C20-H21-Cl-N2-O-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C20H21ClN2OS.HNO3/c1-25-15-24-20(13-23-11-10-22-14-23)18-6-2-16(3-7-18)12-17-4-8-19(21)9-5-17;2-1(3)4/h2-11,14,20H,12-13,15H2,1H3;(H,2,3,4)

InChIKey

XHYNSOLSOYMVPB-UHFFFAOYSA-N

Smiles

CSCOC(Cn1ccnc1)c2ccc(cc2)Cc3ccc(cc3)Cl.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 970mg/kg (970mg/kg)   European Patent Application. Vol. #0001654,