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Substance Name: 1H-Benzo(de)quinoline-8-carboxaldehyde, 2,3,9,9a-tetrahydro-5,6-dimethoxy-7-hydroxy-1-methyl-,hydrochloride
RN: 63080-63-7
InChIKey: COHMXXHPWMKWLT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N-O4.Cl-H

Molecular Weight

  • 325.79
 
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Names and Synonyms

Synonym

  • 7-Hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1H-benzo(de)chinolin-8-carboxaldehyde HCl

Systematic Name

  • 1H-Benzo(de)quinoline-8-carboxaldehyde, 2,3,9,9a-tetrahydro-5,6-dimethoxy-7-hydroxy-1-methyl-,hydrochloride

Registry Numbers

CAS Registry Number

  • 63080-63-7

System Generated Number

  • 0063080637

Molecular Formulas

Molecular Formula

  • C16-H19-N-O4.Cl-H

Molecular Formula Fragments

  • C16-H19-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19NO4.ClH/c1-17-5-4-9-7-12(20-2)16(21-3)14-13(9)11(17)6-10(8-18)15(14)19;/h7-8,11,19H,4-6H2,1-3H3;1H

InChIKey

COHMXXHPWMKWLT-UHFFFAOYSA-N

Smiles

CN1CCc2cc(c(c3c2C1CC(=C3O)C=O)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 150mg/kg (150mg/kg)   Helvetica Chimica Acta. Vol. 60, Pg. 598, 1977.