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Substance Name: 1-Pyrrolidineacetonitrile, 2-((phenylmethyl)imino)-, ethanedioate (1:1)
RN: 151868-68-7
InChIKey: CKJWMTPUULVHMU-GVYCEHEKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-N3.C2-H2-O4

Molecular Weight

  • 303.3163
 
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Names and Synonyms

Synonyms

  • 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate
  • 2-((Phenylmethyl)imino)-1-pyrrolidineacetonitrile ethanedioate (1:1)

Systematic Name

  • 1-Pyrrolidineacetonitrile, 2-((phenylmethyl)imino)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 151868-68-7

System Generated Number

  • 0151868687

Molecular Formulas

Molecular Formula

  • C13-H15-N3.C2-H2-O4

Molecular Formula Fragments

  • C13-H15-N3
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H15N3.C2H2O4/c14-8-10-16-9-4-7-13(16)15-11-12-5-2-1-3-6-12;3-1(4)2(5)6/h1-3,5-6H,4,7,9-11H2;(H,3,4)(H,5,6)/b15-13+;

InChIKey

CKJWMTPUULVHMU-GVYCEHEKSA-N

Smiles

c1ccc(cc1)C/N=C/2\CCCN2CC#N.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 332, 1993.