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Substance Name: Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide
RN: 32871-90-2
InChIKey: KRXNCFZFYWDIOA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-O2.Br-H

Molecular Weight

  • 360.249
 
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Names and Synonyms

Synonym

  • 4-Benzyl-6,7-dimethoxyisoquinoline hydrobromide

Systematic Name

  • Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide

Registry Numbers

CAS Registry Number

  • 32871-90-2

System Generated Number

  • 0032871902

Molecular Formulas

Molecular Formula

  • C18-H17-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C18-H17-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H17NO2.BrH/c1-20-17-9-15-12-19-11-14(16(15)10-18(17)21-2)8-13-6-4-3-5-7-13;/h3-7,9-12H,8H2,1-2H3;1H

InChIKey

KRXNCFZFYWDIOA-UHFFFAOYSA-N

Smiles

c12c(cc(OC)c(c2)OC)c[n+]cc1Cc1ccccc1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 516mg/kg (516mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 271, 1976.
mouse LD50 oral 2300mg/kg (2300mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 358, 1971.