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Substance Name: Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide
RN: 106008-05-3
InChIKey: QMXXUIOPBUEZMB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-Br-N-O4.Br

Molecular Weight

  • 477.1907
 
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Names and Synonyms

  • Benzeneethanaminium, 4-bromo-N-(3-(2-furanylmethoxy)-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-,bromide

Registry Numbers

CAS Registry Number

  • 106008-05-3

System Generated Number

  • 0106008053

Molecular Formulas

Molecular Formula

  • C18-H23-Br-N-O4.Br

Molecular Formula Fragments

  • Br
  • C18-H23-Br-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23BrNO4.BrH/c1-20(2,11-18(22)14-5-7-15(19)8-6-14)10-16(21)12-23-13-17-4-3-9-24-17;/h3-9,16,21H,10-13H2,1-2H3;1H/q+1;/p-1

InChIKey

QMXXUIOPBUEZMB-UHFFFAOYSA-M

Smiles

C[N+](C)(CC(COCc1ccco1)O)CC(=O)c2ccc(cc2)Br.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 57mg/kg (57mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 323, 1986.