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Substance Name: 1H-Imidazole, 5-((2-chloroethyl)thio)-1-((4-chlorophenyl)methyl)-2-methyl-4-nitro-
RN: 110579-14-1
InChIKey: IVLHLQDNAPOVDT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-Cl2-N3-O2-S

Molecular Weight

  • 346.2367
 
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Names and Synonyms

Synonyms

  • 5-((2-Chloroethyl)thio)-1-((4-chlorophenyl)methyl)-2-methyl-4-nitro-1H-imidazole
  • BRN 5624472

Systematic Name

  • 1H-Imidazole, 5-((2-chloroethyl)thio)-1-((4-chlorophenyl)methyl)-2-methyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 110579-14-1

System Generated Number

  • 0110579141

Structure Descriptors

InChI

1S/C13H13Cl2N3O2S/c1-9-16-12(18(19)20)13(21-7-6-14)17(9)8-10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3

InChIKey

IVLHLQDNAPOVDT-UHFFFAOYSA-N

Smiles

Cc1nc(c(n1Cc2ccc(cc2)Cl)SCCCl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 403, 1987.