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Substance Name: Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide
RN: 4668-06-8
InChIKey: YGXKLEJQANTEMR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N-O4.I

Molecular Weight

  • 481.324
 
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Names and Synonyms

Synonyms

  • 1-((4-Methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxyisoquinolinium iodide
  • Takatonine iodide

Systematic Names

  • 5,6,7-Trimethoxy-1-(p-methoxybenzyl)-2-methylisoquinolinium iodide (7CI)
  • Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide
  • Isoquinolinium, 5,6,7-trimethoxy-1-(p-methoxybenzyl)-2-methyl-, iodide (8CI)

Registry Numbers

CAS Registry Number

  • 4668-06-8

System Generated Number

  • 0004668068

Molecular Formulas

Molecular Formula

  • C21-H24-N-O4.I

Molecular Formula Fragments

  • C21-H24-N-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H24NO4.HI/c1-22-11-10-16-17(13-19(24-3)21(26-5)20(16)25-4)18(22)12-14-6-8-15(23-2)9-7-14;/h6-11,13H,12H2,1-5H3;1H/q+1;/p-1

InChIKey

YGXKLEJQANTEMR-UHFFFAOYSA-M

Smiles

c1([n+](ccc2c(c(c(cc12)OC)OC)OC)C)Cc1ccc(cc1)OC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 167mg/kg (167mg/kg)   Fitoterapia. Vol. 59, Pg. 472, 1988.