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Substance Name: 3-Isoquinolineethanamine, 3,4-dihydro-1-phenyl-, ethanedioate, hydrate (1:1:2)
RN: 83658-20-2
InChIKey: YNULUOLWEGUGNN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N2.C2-H2-O4.2H2-O

Molecular Weight

  • 340.377
 
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Names and Synonyms

Synonym

  • 3,4-Dihydro-1-phenyl-3-isoquinolineethanamine ethanedioate hydrate (1:1:2)

Systematic Name

  • 3-Isoquinolineethanamine, 3,4-dihydro-1-phenyl-, ethanedioate, hydrate (1:1:2)

Registry Numbers

CAS Registry Number

  • 83658-20-2

System Generated Number

  • 0083658202

Molecular Formulas

Molecular Formula

  • C17-H18-N2.C2-H2-O4.2H2-O

Molecular Formula Fragments

  • C17-H18-N2
  • C2-H2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H18N2.C2H2O4/c18-11-10-15-12-14-8-4-5-9-16(14)17(19-15)13-6-2-1-3-7-13;3-1(4)2(5)6/h1-9,15H,10-12,18H2;(H,3,4)(H,5,6)

InChIKey

YNULUOLWEGUGNN-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2=NC(Cc3c2cccc3)CCN.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 67mg/kg (67mg/kg)   United States Patent Document. Vol. #4386090,