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Substance Name: Benzeneethanaminium, 4-bromo-N-(2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)-N,N-dimethyl-beta-oxo-, bromide
RN: 105996-44-9
InChIKey: VNXJIZYCYMGERO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Br-N-O3.Br

Molecular Weight

  • 513.2673
 
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Names and Synonyms

  • Benzeneethanaminium, 4-bromo-N-(2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)-N,N-dimethyl-beta-oxo-, bromide

Registry Numbers

CAS Registry Number

  • 105996-44-9

System Generated Number

  • 0105996449

Molecular Formulas

Molecular Formula

  • C22-H27-Br-N-O3.Br

Molecular Formula Fragments

  • Br
  • C22-H27-Br-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27BrNO3.BrH/c1-4-7-18-8-5-6-9-22(18)27-16-20(25)14-24(2,3)15-21(26)17-10-12-19(23)13-11-17;/h4-6,8-13,20,25H,1,7,14-16H2,2-3H3;1H/q+1;/p-1

InChIKey

VNXJIZYCYMGERO-UHFFFAOYSA-M

Smiles

C[N+](C)(CC(COc1ccccc1CC=C)O)CC(=O)c2ccc(cc2)Br.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90500ug/kg (90.5mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 323, 1986.