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Substance Name: 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide
RN: 127906-53-0
InChIKey: LKAYUBYPKNZUSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N-O2-S.Br-H

Molecular Weight

  • 328.2286
 
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Names and Synonyms

Synonyms

  • 4-((2-(Aminomethyl)phenyl)thio)-1,2-benzenediol hydrobromide
  • RTECS CX2254000

Systematic Name

  • 1,2-Benzenediol, 4-((2-(aminomethyl)phenyl)thio)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 127906-53-0

System Generated Number

  • 0127906530

Molecular Formulas

Molecular Formula

  • C13-H13-N-O2-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C13-H13-N-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C13H13NO2S.BrH/c14-8-9-3-1-2-4-13(9)17-10-5-6-11(15)12(16)7-10;/h1-7,15-16H,8,14H2;1H

InChIKey

LKAYUBYPKNZUSM-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)CN)Sc2ccc(c(c2)O)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 883mg/kg (883mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 3294, 1989.