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Substance Name: 3-Hydroxyphenyltrimethylammonium bromide
RN: 1620-19-5
UNII: 8BBF2W6V08
InChIKey: MKRZGVCMTCPWHY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H14-N-O.Br

Molecular Weight

  • 232.12
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxyphenyltrimethylammonium bromide

Synonyms

  • 3-Hydroxyphenyltrimethylammonium bromide
  • Ro 2-2561
  • UNII-8BBF2W6V08

Systematic Name

  • Ammonium, (m-hydroxyphenyl)trimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 1620-19-5

FDA UNII

  • 8BBF2W6V08

Related Registry Number

  • 3483-84-9 (Parent)

System Generated Number

  • 0001620195

Molecular Formulas

Molecular Formula

  • C9-H14-N-O.Br

Molecular Formula Fragments

  • Br
  • C9-H14-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C9H13NO.BrH/c1-10(2,3)8-5-4-6-9(11)7-8;/h4-7H,1-3H3;1H

InChIKey

MKRZGVCMTCPWHY-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)O)[N+](C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 10mg/kg (10mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 16, 1950.
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 83, 1950.
mouse LD50 intravenous 2500ug/kg (2.5mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 16, 1950.
mouse LD50 oral 480mg/kg (480mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 83, 1950.
mouse LD50 subcutaneous 81mg/kg (81mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 16, 1950.
rabbit LD50 intravenous 3mg/kg (3mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 83, 1950.