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Substance Name: 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, (S)-, ethanedioate (2:3)
RN: 98612-67-0
InChIKey: SXUJRAVVQCPNAO-NGQGLHOPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-N2-O.3/2C2-H2-O4

Molecular Weight

  • 658.6538
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98612-67-0

System Generated Number

  • 0098612670

Molecular Formulas

Molecular Formula

  • C11-H18-N2-O.3/2C2-H2-O4

Molecular Formula Fragments

  • C11-H18-N2-O
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C11H18N2O.3C2H2O4/c2*1-10-6-7-11(14)13(10)9-5-4-8-12(2)3;3*3-1(4)2(5)6/h2*10H,6-9H2,1-3H3;3*(H,3,4)(H,5,6)/t2*10-;;;/m00.../s1

InChIKey

SXUJRAVVQCPNAO-NGQGLHOPSA-N

Smiles

C[C@H]1CCC(=O)N1CC#CCN(C)C.C[C@H]1CCC(=O)N1CC#CCN(C)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 intravenous 60mg/kg (60mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1760, 1985.