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Substance Name: Propanedinitrile, (1-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)
RN: 135017-80-0
InChIKey: OWXPMSFLRPFOIE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N6-O.C4-H4-O4

Molecular Weight

  • 430.4624
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 135017-80-0

System Generated Number

  • 0135017800

Molecular Formulas

Molecular Formula

  • C16-H22-N6-O.C4-H4-O4

Molecular Formula Fragments

  • C16-H22-N6-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22N6O.C4H4O4/c1-21(2)12-15-4-3-14(23-15)11-19-5-7-22-8-6-20-16(22)13(9-17)10-18;5-3(6)1-2-4(7)8/h3-4,19-20H,5-8,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

OWXPMSFLRPFOIE-WLHGVMLRSA-N

Smiles

CN(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,