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Substance Name: Isoquinolinium, 2-ethyl-5-hydroxy-, acetate, bromide
RN: 16232-80-7
InChIKey: DQQDMAYZPICFMH-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N-O2.Br

Molecular Weight

  • 296.163
 
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Names and Synonyms

Synonym

  • 2-Ethyl-5-hydroxyisoquinolinium acetate, bromide

Systematic Name

  • Isoquinolinium, 2-ethyl-5-hydroxy-, acetate, bromide

Registry Numbers

CAS Registry Number

  • 16232-80-7

System Generated Number

  • 0016232807

Molecular Formulas

Molecular Formula

  • C13-H14-N-O2.Br

Molecular Formula Fragments

  • Br
  • C13-H14-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C13H14NO2.BrH/c1-3-14-8-7-12-11(9-14)5-4-6-13(12)16-10(2)15;/h4-9H,3H2,1-2H3;1H/q+1;/p-1

InChIKey

DQQDMAYZPICFMH-UHFFFAOYSA-M

Smiles

c12c(c[n+](CC)cc2)cccc1OC(C)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 128mg/kg (128mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 438, 1968.