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Substance Name: 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-
RN: 115906-52-0
InChIKey: QKYKSWJAQJONKY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-Cl2-N3-O2-S

Molecular Weight

  • 360.2635
 
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Names and Synonyms

Synonyms

  • 5-((2,3-Dichloropropyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazole
  • BRN 5625664
  • RTECS NL7056000

Systematic Name

  • 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 115906-52-0

System Generated Number

  • 0115906520

Structure Descriptors

InChI

1S/C14H15Cl2N3O2S/c1-10-17-13(19(20)21)14(22-9-12(16)7-15)18(10)8-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3

InChIKey

QKYKSWJAQJONKY-UHFFFAOYSA-N

Smiles

Cc1nc(c(n1Cc2ccccc2)SCC(CCl)Cl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral > 2500mg/kg (2500mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 287, 1988.