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Substance Name: 2-Propen-1-aminium, N-(2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)-N,N-dimethyl-, bromide
RN: 105996-47-2
InChIKey: LGQHEAFROYIDQE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N-O2.Br

Molecular Weight

  • 356.3014
 
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Names and Synonyms

Synonym

  • N-(2-Hydroxy-3-(2-(2-propenyl)phenoxy)propyl)-N,N-dimethyl-2-propen-1-aminium bromide

Systematic Name

  • 2-Propen-1-aminium, N-(2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)-N,N-dimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 105996-47-2

System Generated Number

  • 0105996472

Molecular Formulas

Molecular Formula

  • C17-H26-N-O2.Br

Molecular Formula Fragments

  • Br
  • C17-H26-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26NO2.BrH/c1-5-9-15-10-7-8-11-17(15)20-14-16(19)13-18(3,4)12-6-2;/h5-8,10-11,16,19H,1-2,9,12-14H2,3-4H3;1H/q+1;/p-1

InChIKey

LGQHEAFROYIDQE-UHFFFAOYSA-M

Smiles

C[N+](C)(CC=C)CC(COc1ccccc1CC=C)O.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 69mg/kg (69mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 323, 1986.