Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Propanedinitrile, (1-(2-(methyl((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:2)
RN: 135017-95-7
InChIKey: NPJHZBOBFUFSKP-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N6-O.2C4-H4-O4

Molecular Weight

  • 600.6254
 
* 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

  • Propanedinitrile, (1-(2-(methyl((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 135017-95-7

System Generated Number

  • 0135017957

Molecular Formulas

Molecular Formula

  • C20-H28-N6-O.2C4-H4-O4

Molecular Formula Fragments

  • C20-H28-N6-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28N6O.2C4H4O4/c1-24(11-12-26-10-7-23-20(26)17(13-21)14-22)15-18-5-6-19(27-18)16-25-8-3-2-4-9-25;2*5-3(6)1-2-4(7)8/h5-6,23H,2-4,7-12,15-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

NPJHZBOBFUFSKP-LVEZLNDCSA-N

Smiles

CN(Cc1oc(cc1)CN2CCCCC2)CCN3C(=C(C#N)C#N)NCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5075301,