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Substance Name: Benzeneethanaminium, 4-bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide
RN: 105996-48-3
InChIKey: QGTCIGWSUADFCO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-Br-N-O3.Br

Molecular Weight

  • 453.2123
 
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Names and Synonyms

Synonym

  • 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 105996-48-3

System Generated Number

  • 0105996483

Molecular Formulas

Molecular Formula

  • C17-H27-Br-N-O3.Br

Molecular Formula Fragments

  • Br
  • C17-H27-Br-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27BrNO3.BrH/c1-4-5-10-22-13-16(20)11-19(2,3)12-17(21)14-6-8-15(18)9-7-14;/h6-9,16,20H,4-5,10-13H2,1-3H3;1H/q+1;/p-1

InChIKey

QGTCIGWSUADFCO-UHFFFAOYSA-M

Smiles

CCCCOCC(C[N+](C)(C)CC(=O)c1ccc(cc1)Br)O.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 323, 1986.