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Substance Name: 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)
RN: 112483-20-2
InChIKey: FWKYJSBAAPCNMO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O.3/2C2-H2-O4

Molecular Weight

  • 714.761
 
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Names and Synonyms

Synonyms

  • 1-(4-(Diethylamino)-2-butynyl)-5-methyl-2-pyrrolidinone ethanedioate (2:3)
  • N-(4-(Diethylamino)-2-butynyl)-5-methyl-2-pyrrolidone sesquioxalate

Systematic Name

  • 2-Pyrrolidinone, 1-(4-(diethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)

Registry Numbers

CAS Registry Number

  • 112483-20-2

System Generated Number

  • 0112483202

Molecular Formulas

Molecular Formula

  • C13-H22-N2-O.3/2C2-H2-O4

Molecular Formula Fragments

  • C13-H22-N2-O
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C13H22N2O.3C2H2O4/c2*1-4-14(5-2)10-6-7-11-15-12(3)8-9-13(15)16;3*3-1(4)2(5)6/h2*12H,4-5,8-11H2,1-3H3;3*(H,3,4)(H,5,6)

InChIKey

FWKYJSBAAPCNMO-UHFFFAOYSA-N

Smiles

CCN(CC)CC#CCN1C(CCC1=O)C.CCN(CC)CC#CCN1C(CCC1=O)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 257mg/kg (257mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 683, 1988.