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Substance Name: Propanedinitrile, (1-(2-(((5-((4-methyl-1-piperidinyl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)
RN: 135017-88-8
InChIKey: FAOJALBQEBEEHZ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N6-O.C4-H4-O4

Molecular Weight

  • 484.5538
 
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Names and Synonyms

  • Propanedinitrile, (1-(2-(((5-((4-methyl-1-piperidinyl)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 135017-88-8

System Generated Number

  • 0135017888

Molecular Formulas

Molecular Formula

  • C20-H28-N6-O.C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C20H28N6O.C4H4O4/c1-16-4-8-25(9-5-16)15-19-3-2-18(27-19)14-23-6-10-26-11-7-24-20(26)17(12-21)13-22;5-3(6)1-2-4(7)8/h2-3,16,23-24H,4-11,14-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FAOJALBQEBEEHZ-WLHGVMLRSA-N

Smiles

CC1CCN(CC1)Cc2ccc(o2)CNCCN3CCNC3=C(C#N)C#N.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,