Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
RN: 110579-04-9
InChIKey: UPFKFKSSGOXYDM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N5-O5-S

Molecular Weight

  • 377.3795
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-((1-((4-Methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)propanenitrile
  • BRN 5661668

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110579-04-9

System Generated Number

  • 0110579049

Structure Descriptors

InChI

1S/C15H15N5O5S/c1-10-17-14(20(23)24)15(26-7-3-6-16)18(10)9-11-4-5-13(25-2)12(8-11)19(21)22/h4-5,8H,3,7,9H2,1-2H3

InChIKey

UPFKFKSSGOXYDM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 2500mg/kg (2500mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 403, 1987.