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Substance Name: 2-Pyrrolidinone, 1-(1-methyl-4-(1-pyrrolidinyl)-2-butynyl)-, (S)-, ethanedioate (1:1)
RN: 98674-78-3
InChIKey: REELIAMKBANGTI-YDALLXLXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N2-O.C2-H2-O4

Molecular Weight

  • 310.3478
 
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Names and Synonyms

Synonyms

  • (S)-1-(1-Methyl-4-(1-pyrrolidinyl)-2-butynyl)-2-pyrrolidinone ethanedioate (1:1)
  • (S)-N-(4-Pyrrolidino-2-butynyl)-5-methyl-2-pyrrolidone oxalate

Systematic Name

  • 2-Pyrrolidinone, 1-(1-methyl-4-(1-pyrrolidinyl)-2-butynyl)-, (S)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 98674-78-3

System Generated Number

  • 0098674783

Molecular Formulas

Molecular Formula

  • C13-H20-N2-O.C2-H2-O4

Molecular Formula Fragments

  • C13-H20-N2-O
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H20N2O.C2H2O4/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14;3-1(4)2(5)6/h12H,2-3,6-11H2,1H3;(H,3,4)(H,5,6)/t12-;/m0./s1

InChIKey

REELIAMKBANGTI-YDALLXLXSA-N

Smiles

C[C@H]1CCC(=O)N1CC#CCN2CCCC2.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12414ug/kg (12.414mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1760, 1985.