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Substance Name: 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-N-methyl-, ethanedioate (1:1)
RN: 83658-28-0
InChIKey: LBLDAQVFJZVNCD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-F-N2.C2-H2-O4

Molecular Weight

  • 372.3939
 
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Names and Synonyms

Synonym

  • 3,4-Dihydro-1-(2-fluorophenyl)-N-methyl-3-isoquinolineethanamine ethanedioate (1:1)

Systematic Name

  • 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-N-methyl-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 83658-28-0

System Generated Number

  • 0083658280

Molecular Formulas

Molecular Formula

  • C18-H19-F-N2.C2-H2-O4

Molecular Formula Fragments

  • C18-H19-F-N2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19FN2.C2H2O4/c1-20-11-10-14-12-13-6-2-3-7-15(13)18(21-14)16-8-4-5-9-17(16)19;3-1(4)2(5)6/h2-9,14,20H,10-12H2,1H3;(H,3,4)(H,5,6)

InChIKey

LBLDAQVFJZVNCD-UHFFFAOYSA-N

Smiles

CNCCC1Cc2ccccc2C(=N1)c3ccccc3F.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   United States Patent Document. Vol. #4386090,