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Substance Name: Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide
RN: 27068-06-0
InChIKey: FPSGOTBPWRPBCZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-N-O.Br

Molecular Weight

  • 260.173
 
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Names and Synonyms

Synonyms

  • (3-Hydroxyphenyl)diethylmethylammonium bromide
  • Diethyl(m-hydroxyphenyl)methylammonium bromide
  • Ro 2-2980

Systematic Name

  • Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide

Registry Numbers

CAS Registry Number

  • 27068-06-0

Related Registry Number

  • 152-46-5 (Parent)

System Generated Number

  • 0027068060

Molecular Formulas

Molecular Formula

  • C11-H18-N-O.Br

Molecular Formula Fragments

  • Br
  • C11-H18-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C11H17NO.BrH/c1-4-12(3,5-2)10-7-6-8-11(13)9-10;/h6-9H,4-5H2,1-3H3;1H

InChIKey

FPSGOTBPWRPBCZ-UHFFFAOYSA-N

Smiles

[N+](c1cc(O)ccc1)(CC)(CC)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 20mg/kg (20mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 83, 1950.
mouse LD50 intraperitoneal 26mg/kg (26mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 83, 1950.
mouse LD50 intravenous 10mg/kg (10mg/kg)   Annals of the New York Academy of Sciences. Vol. 54, Pg. 460, 1951.
mouse LD50 oral 690mg/kg (690mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 83, 1950.
mouse LD50 subcutaneous 61mg/kg (61mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 83, 1950.
rabbit LD50 intravenous 27mg/kg (27mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 83, 1950.