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Substance Name: Ethanaminium, 2-((3-(1H-indol-3-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-, iodide, (E)-
RN: 70882-55-2
InChIKey: XAWQVKNUIQLAOF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N2-O2.I

Molecular Weight

  • 400.254
 
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Names and Synonyms

Synonyms

  • (E)-2-((3-(1H-Indol-3-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium iodide
  • beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate methiodide

Systematic Name

  • Ethanaminium, 2-((3-(1H-indol-3-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-, iodide, (E)-

Registry Numbers

CAS Registry Number

  • 70882-55-2

System Generated Number

  • 0070882552

Molecular Formulas

Molecular Formula

  • C16-H21-N2-O2.I

Molecular Formula Fragments

  • C16-H21-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H20N2O2.HI/c1-18(2,3)10-11-20-16(19)9-8-13-12-17-15-7-5-4-6-14(13)15;/h4-9,12H,10-11H2,1-3H3;1H

InChIKey

XAWQVKNUIQLAOF-UHFFFAOYSA-N

Smiles

c12c(c[nH]c1cccc2)\C=C\C(OCC[N+](C)(C)C)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 50mg/kg (50mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 507, 1979.