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Substance Name: 2-Propanol, 1-chloro-3-((2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazol-5-yl)thio)-
RN: 115906-47-3
InChIKey: ZXIUPKJAIQGOLV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-Cl-N3-O3-S

Molecular Weight

  • 341.8174
 
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Names and Synonyms

Synonyms

  • 1-Chloro-3-((2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazol-5-yl)thio)-2-propanol
  • BRN 5625688

Systematic Name

  • 2-Propanol, 1-chloro-3-((2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazol-5-yl)thio)-

Registry Numbers

CAS Registry Number

  • 115906-47-3

System Generated Number

  • 0115906473

Structure Descriptors

InChI

1S/C14H16ClN3O3S/c1-10-16-13(18(20)21)14(22-9-12(19)7-15)17(10)8-11-5-3-2-4-6-11/h2-6,12,19H,7-9H2,1H3

InChIKey

ZXIUPKJAIQGOLV-UHFFFAOYSA-N

Smiles

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

Toxicity

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