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Substance Name: Acetonitrile, ((1-(p-fluorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
RN: 77952-80-8
InChIKey: DGXCSLWXSPNDIJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-F-N4-O2-S

Molecular Weight

  • 306.32
 
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Names and Synonyms

Synonyms

  • ((1-(p-Fluorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
  • BRN 5133809

Systematic Name

  • Acetonitrile, ((1-(p-fluorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-

Registry Numbers

CAS Registry Number

  • 77952-80-8

System Generated Number

  • 0077952808

Structure Descriptors

InChI

1S/C13H11FN4O2S/c1-9-16-12(18(19)20)13(21-7-6-15)17(9)8-10-2-4-11(14)5-3-10/h2-5H,7-8H2,1H3

InChIKey

DGXCSLWXSPNDIJ-UHFFFAOYSA-N

Smiles

c1(n(Cc2ccc(F)cc2)c(C)nc1[N+](=O)[O-])SCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 780mg/kg (780mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 97, 1981.