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Substance Name: Benzamide, N-1-azabicyclo(2.2.2)oct-3-yl-3-fluoro-, ethanedioate (1:1)
RN: 90182-99-3
InChIKey: YEWJNOPCFROAMG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-F-N2-O.C2-H2-O4

Molecular Weight

  • 338.3331
 
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Names and Synonyms

Synonym

  • N-1-Azabicyclo(2.2.2)oct-3-yl-3-fluorobenzamide ethanedioate (1:1)

Systematic Name

  • Benzamide, N-1-azabicyclo(2.2.2)oct-3-yl-3-fluoro-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 90182-99-3

System Generated Number

  • 0090182993

Molecular Formulas

Molecular Formula

  • C14-H17-F-N2-O.C2-H2-O4

Molecular Formula Fragments

  • C14-H17-F-N2-O
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H17FN2O.C2H2O4/c15-12-3-1-2-11(8-12)14(18)16-13-9-17-6-4-10(13)5-7-17;3-1(4)2(5)6/h1-3,8,10,13H,4-7,9H2,(H,16,18);(H,3,4)(H,5,6)

InChIKey

YEWJNOPCFROAMG-UHFFFAOYSA-N

Smiles

OC(=O)C(=O)O.Fc1cccc(c1)C(=O)NC2CN3CCC2CC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   United States Patent Document. Vol. #4657911,