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Substance Name: 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(3-(trifluoromethyl)phenyl)-, ethanedioate (1:2)
RN: 83658-81-5
InChIKey: AMBUKKGQTSKXAO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-F3-N2.2C2-H2-O4

Molecular Weight

  • 526.4615
 
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Names and Synonyms

  • 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(3-(trifluoromethyl)phenyl)-, ethanedioate (1:2)

Registry Numbers

CAS Registry Number

  • 83658-81-5

System Generated Number

  • 0083658815

Molecular Formulas

Molecular Formula

  • C20-H21-F3-N2.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H21-F3-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21F3N2.2C2H2O4/c1-25(2)11-10-17-13-14-6-3-4-9-18(14)19(24-17)15-7-5-8-16(12-15)20(21,22)23;2*3-1(4)2(5)6/h3-9,12,17H,10-11,13H2,1-2H3;2*(H,3,4)(H,5,6)

InChIKey

AMBUKKGQTSKXAO-UHFFFAOYSA-N

Smiles

CN(C)CCC1Cc2ccccc2C(=N1)c3cccc(c3)C(F)(F)F.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 intraperitoneal 62mg/kg (62mg/kg)   United States Patent Document. Vol. #4386090,