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Substance Name: Acetonitrile, ((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
RN: 77952-82-0
InChIKey: JYXLTNKUKFFNMH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N5-O5-S

Molecular Weight

  • 363.3527
 
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Names and Synonyms

Synonyms

  • ((1-((4-Methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
  • BRN 5169952

Systematic Name

  • Acetonitrile, ((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-

Registry Numbers

CAS Registry Number

  • 77952-82-0

System Generated Number

  • 0077952820

Structure Descriptors

InChI

1S/C14H13N5O5S/c1-9-16-13(19(22)23)14(25-6-5-15)17(9)8-10-3-4-12(24-2)11(7-10)18(20)21/h3-4,7H,6,8H2,1-2H3

InChIKey

JYXLTNKUKFFNMH-UHFFFAOYSA-N

Smiles

Cc1nc(c(n1Cc2ccc(c(c2)[N+](=O)[O-])OC)SCC#N)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal > 3500mg/kg (3500mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 97, 1981.