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Substance Name: 1H-Imidazole, 4-((((4-chlorophenyl)methyl)thio)methyl)-5-methyl-, monohydrochloride
RN: 131028-59-6
InChIKey: WKKHCWQWTZCZAE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-Cl-N2-S.Cl-H

Molecular Weight

  • 289.2286
 
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Names and Synonyms

Synonym

  • 4-((((4-Chlorophenyl)methyl)thio)methyl)-5-methyl-1H-imidazole monohydrochloride

Systematic Name

  • 1H-Imidazole, 4-((((4-chlorophenyl)methyl)thio)methyl)-5-methyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 131028-59-6

System Generated Number

  • 0131028596

Molecular Formulas

Molecular Formula

  • C12-H13-Cl-N2-S.Cl-H

Molecular Formula Fragments

  • C12-H13-Cl-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H13ClN2S.ClH/c1-9-12(15-8-14-9)7-16-6-10-2-4-11(13)5-3-10;/h2-5,8H,6-7H2,1H3,(H,14,15);1H

InChIKey

WKKHCWQWTZCZAE-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCc2ccc(cc2)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 86mg/kg (86mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1602, 1990.