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Substance Name: Isoquinolin-3-one, 1,2,3,4-tetrahydro-1-(p-aminophenyl)-, hydrochloride
RN: 64097-17-2
InChIKey: LLTIMRCNHPKMDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-N2-O.Cl-H

Molecular Weight

  • 274.75
 
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Names and Synonyms

Synonyms

  • 1-(4'-Aminophenyl)-3-oxotetrahydroisoquinoline hydrochloride
  • 1-(p-Aminophenyl)-1,2,3,4-tetrahydroisoquinolin-3-one hydrochloride
  • 3(2H)-Isoquinolinone, 1,4-dihydro-1-(p-aminophenyl), monohydrochloride

Systematic Name

  • Isoquinolin-3-one, 1,2,3,4-tetrahydro-1-(p-aminophenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 64097-17-2

System Generated Number

  • 0064097172

Molecular Formulas

Molecular Formula

  • C15-H14-N2-O.Cl-H

Molecular Formula Fragments

  • C15-H14-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H14N2O.ClH/c16-12-7-5-10(6-8-12)15-13-4-2-1-3-11(13)9-14(18)17-15;/h1-8,15H,9,16H2,(H,17,18);1H

InChIKey

LLTIMRCNHPKMDU-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccc(N)cc3)[NH+]C(=O)Cc1cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 795mg/kg (795mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1384, 1977.