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Substance Name: Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
RN: 110592-13-7
InChIKey: OADGSVVRRZRAQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H8-N4-O2-S

Molecular Weight

  • 212.2322
 
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Names and Synonyms

Synonyms

  • 3-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)propanenitrile
  • Propanenitrile, 3-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-

Systematic Name

  • Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-

Registry Numbers

CAS Registry Number

  • 110592-13-7

System Generated Number

  • 0110592137

Structure Descriptors

InChI

1S/C7H8N4O2S/c1-5-9-6(11(12)13)7(10-5)14-4-2-3-8/h2,4H2,1H3,(H,9,10)

InChIKey

OADGSVVRRZRAQN-UHFFFAOYSA-N

Smiles

Cc1[nH]c(c(n1)SCCC#N)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 403, 1987.