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Substance Name: Quinolinium, 2-(2-(2,4-dimethoxyphenyl)ethenyl)-1-ethyl-, iodide
RN: 110816-53-0
InChIKey: MKEGNALXTHYKJO-RSGUCCNWSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N-O2.I

Molecular Weight

  • 447.3098
 
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Names and Synonyms

Synonym

  • 2-(2-(2,4-Dimethoxyphenyl)ethenyl)-1-ethylquinolinium iodide

Systematic Name

  • Quinolinium, 2-(2-(2,4-dimethoxyphenyl)ethenyl)-1-ethyl-, iodide

Registry Numbers

CAS Registry Number

  • 110816-53-0

System Generated Number

  • 0110816530

Molecular Formulas

Molecular Formula

  • C21-H22-N-O2.I

Molecular Formula Fragments

  • C21-H22-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H22NO2.HI/c1-4-22-18(12-9-16-7-5-6-8-20(16)22)13-10-17-11-14-19(23-2)15-21(17)24-3;/h5-15H,4H2,1-3H3;1H/q+1;/p-1/b13-10+;

InChIKey

MKEGNALXTHYKJO-RSGUCCNWSA-M

Smiles

CC[n+]1c(ccc2c1cccc2)/C=C/c3ccc(cc3OC)OC.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1830ug/kg (1.83mg/kg)   Doklady Bolgarskoi Akademii Nauk. Vol. 45(9), Pg. 83, 1992.