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Substance Name: Propanedinitrile, (1-(2-(((5-(4-thiomorpholinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)
RN: 135017-91-3
InChIKey: GMIOBNQZQLHGLT-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N6-O-S.C4-H4-O4

Molecular Weight

  • 488.5662
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 135017-91-3

System Generated Number

  • 0135017913

Molecular Formulas

Molecular Formula

  • C18-H24-N6-O-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H24-N6-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H24N6OS.C4H4O4/c19-11-15(12-20)18-22-4-6-24(18)5-3-21-13-16-1-2-17(25-16)14-23-7-9-26-10-8-23;5-3(6)1-2-4(7)8/h1-2,21-22H,3-10,13-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

GMIOBNQZQLHGLT-WLHGVMLRSA-N

Smiles

c1cc(oc1CNCCN2CCNC2=C(C#N)C#N)CN3CCSCC3.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,