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Substance Name: Benzenemethanaminium, 2-bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-, bromide
RN: 112169-51-4
InChIKey: KTLMPOYJXXZDNZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-Br-N-O2.Br

Molecular Weight

  • 495.2525
 
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Names and Synonyms

Synonym

  • 2-Bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethylbenzenemethanaminium bromide

Systematic Name

  • Benzenemethanaminium, 2-bromo-N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 112169-51-4

System Generated Number

  • 0112169514

Molecular Formulas

Molecular Formula

  • C22-H25-Br-N-O2.Br

Molecular Formula Fragments

  • Br
  • C22-H25-Br-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25BrNO2.BrH/c1-24(2,14-19-9-5-6-10-22(19)23)15-20(25)16-26-21-12-11-17-7-3-4-8-18(17)13-21;/h3-13,20,25H,14-16H2,1-2H3;1H/q+1;/p-1

InChIKey

KTLMPOYJXXZDNZ-UHFFFAOYSA-M

Smiles

C[N+](C)(Cc1ccccc1Br)CC(COc2ccc3ccccc3c2)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.