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Substance Name: Ammonium, (4-hydroxy-5-isopropyl-o-tolyl)trimethyl-, bromide
RN: 66967-78-0
InChIKey: ZFJLFCUEHGRTEJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N-O.Br

Molecular Weight

  • 288.227
 
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Names and Synonyms

Synonyms

  • (4-Hydroxy-5-isopropyl-o-tolyl)trimethylammonium bromide
  • Ro 2-4173

Systematic Name

  • Ammonium, (4-hydroxy-5-isopropyl-o-tolyl)trimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 66967-78-0

System Generated Number

  • 0066967780

Molecular Formulas

Molecular Formula

  • C13-H22-N-O.Br

Molecular Formula Fragments

  • Br
  • C13-H22-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21NO.BrH/c1-9(2)11-8-12(14(4,5)6)10(3)7-13(11)15;/h7-9H,1-6H3;1H

InChIKey

ZFJLFCUEHGRTEJ-UHFFFAOYSA-N

Smiles

c1(cc(c(O)cc1C)C(C)C)[N+](C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3300ug/kg (3.3mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 326, 1956.