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Substance Name: Ammonium, (3,4-dihydroxyphenyl)trimethyl-, bromide
RN: 66941-35-3
InChIKey: RBWFGZFIVSWEDG-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

Synonyms

  • (3,4-Dihydroxyphenyl)trimethylammonium bromide
  • Ro 2-4263

Systematic Name

  • Ammonium, (3,4-dihydroxyphenyl)trimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 66941-35-3

System Generated Number

  • 0066941353

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)7-4-5-8(11)9(12)6-7;/h4-6H,1-3H3,(H-,11,12);1H

InChIKey

RBWFGZFIVSWEDG-UHFFFAOYSA-N

Smiles

[N+](c1cc(c(O)cc1)O)(C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 17500ug/kg (17.5mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 326, 1956.