Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Propanedinitrile, (((3-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)propyl)amino)(methylamino)methylene)-, (E)-2-butenedioate (1:2)
RN: 135017-09-3
InChIKey: SZAACTRVOLNLJU-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N6-O.2C4-H4-O4

Molecular Weight

  • 548.5498
 
* 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, (((3-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)propyl)amino)(methylamino)methylene)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 135017-09-3

System Generated Number

  • 0135017093

Molecular Formulas

Molecular Formula

  • C16-H24-N6-O.2C4-H4-O4

Molecular Formula Fragments

  • C16-H24-N6-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H24N6O.2C4H4O4/c1-19-16(13(9-17)10-18)21-8-4-7-20-11-14-5-6-15(23-14)12-22(2)3;2*5-3(6)1-2-4(7)8/h5-6,19-21H,4,7-8,11-12H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

SZAACTRVOLNLJU-LVEZLNDCSA-N

Smiles

CNC(=C(C#N)C#N)NCCCNCc1oc(cc1)CN(C)C.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,