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Substance Name: 3-Isoquinolinemethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-fluorophenyl)-, ethanedioate (1:1)
RN: 83658-12-2
InChIKey: GTDYTANRGQYQTP-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

  • N,N-Dimethyl-1-(2-fluorophenyl)-3,4-dihydro-3-isoquinolinemethanamine ethanedioate (1:1)

Systematic Name

  • 3-Isoquinolinemethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-fluorophenyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 83658-12-2

System Generated Number

  • 0083658122

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/c1-21(2)12-14-11-13-7-3-4-8-15(13)18(20-14)16-9-5-6-10-17(16)19;3-1(4)2(5)6/h3-10,14H,11-12H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

GTDYTANRGQYQTP-UHFFFAOYSA-N

Smiles

CN(C)CC1Cc2ccccc2C(=N1)c3ccccc3F.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 35mg/kg (35mg/kg)   United States Patent Document. Vol. #4386090,