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Substance Name: Propanedinitrile, (1-(2-(((5-((ethylmethylamino)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)
RN: 135017-82-2
InChIKey: LXWUQQIAOACSKS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-N6-O.C4-H4-O4

Molecular Weight

  • 444.4892
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 135017-82-2

System Generated Number

  • 0135017822

Molecular Formulas

Molecular Formula

  • C17-H24-N6-O.C4-H4-O4

Molecular Formula Fragments

  • C17-H24-N6-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H24N6O.C4H4O4/c1-3-22(2)13-16-5-4-15(24-16)12-20-6-8-23-9-7-21-17(23)14(10-18)11-19;5-3(6)1-2-4(7)8/h4-5,20-21H,3,6-9,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LXWUQQIAOACSKS-WLHGVMLRSA-N

Smiles

CCN(C)Cc1ccc(o1)CNCCN2CCNC2=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,