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Substance Name: 2-Pyrrolidinone, 1-(4-(1-azetidinyl)-2-butynyl)-5-methyl-, ethanedioate (1:1)
RN: 112483-22-4
InChIKey: MFSZWUDKCKSQTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O.C2-H2-O4

Molecular Weight

  • 296.321
 
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Names and Synonyms

Synonyms

  • 1-(4-(1-Azetidinyl)-2-butynyl)-5-methyl-2-pyrrolidinone ethanedioate
  • N-(4-Azetidinyl-2-butynyl)-5-methyl-2-pyrrolidone oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112483-22-4

System Generated Number

  • 0112483224

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O.C2-H2-O4

Molecular Formula Fragments

  • C12-H18-N2-O
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18N2O.C2H2O4/c1-11-5-6-12(15)14(11)10-3-2-7-13-8-4-9-13;3-1(4)2(5)6/h11H,4-10H2,1H3;(H,3,4)(H,5,6)

InChIKey

MFSZWUDKCKSQTK-UHFFFAOYSA-N

Smiles

CC1CCC(=O)N1CC#CCN2CCC2.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 56895ug/kg (56.895mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 683, 1988.