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Substance Name: 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide
RN: 127906-40-5
InChIKey: YCDWPIRZISEDAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-N-O2-S.Br-H

Molecular Weight

  • 342.2554
 
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Names and Synonyms

Synonym

  • 6-((2-((Methylamino)methyl)phenyl)thio)-1,3-benzenediol hydrobromide

Systematic Name

  • 1,3-Benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 127906-40-5

System Generated Number

  • 0127906405

Molecular Formulas

Molecular Formula

  • C14-H15-N-O2-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C14-H15-N-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C14H15NO2S.BrH/c1-15-9-10-4-2-3-5-13(10)18-14-7-6-11(16)8-12(14)17;/h2-8,15-17H,9H2,1H3;1H

InChIKey

YCDWPIRZISEDAV-UHFFFAOYSA-N

Smiles

CNCc1ccccc1Sc2ccc(cc2O)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 587mg/kg (587mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 3294, 1989.