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Substance Name: Ammonium, (2,5-dihydroxyphenyl)trimethyl-, bromide
RN: 63977-42-4
InChIKey: YSYILHQNTLENLJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H14-N-O2.Br

Molecular Weight

  • 248.119
 
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Names and Synonyms

Synonym

  • 2,5-Dihydroxyphenyltrimethylammonium bromide

Systematic Name

  • Ammonium, (2,5-dihydroxyphenyl)trimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 63977-42-4

System Generated Number

  • 0063977424

Molecular Formulas

Molecular Formula

  • C9-H14-N-O2.Br

Molecular Formula Fragments

  • Br
  • C9-H14-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C9H13NO2.BrH/c1-10(2,3)8-6-7(11)4-5-9(8)12;/h4-6H,1-3H3,(H-,11,12);1H

InChIKey

YSYILHQNTLENLJ-UHFFFAOYSA-N

Smiles

[N+](c1c(ccc(c1)O)O)(C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 38mg/kg (38mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 83, 1950.