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Substance Name: 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-
RN: 110579-13-0
InChIKey: RWVFBZFPAZVDRI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-Cl-N3-O2-S

Molecular Weight

  • 311.7916
 
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Names and Synonyms

Synonyms

  • 5-((2-Chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazole
  • BRN 5604057

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110579-13-0

System Generated Number

  • 0110579130

Structure Descriptors

InChI

1S/C13H14ClN3O2S/c1-10-15-12(17(18)19)13(20-8-7-14)16(10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3

InChIKey

RWVFBZFPAZVDRI-UHFFFAOYSA-N

Smiles

Cc1nc(c(n1Cc2ccccc2)SCCCl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 403, 1987.