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Substance Name: 1,3-Benzenediol, 5-(2-(cyclobutylamino)-1-hydroxyethyl)-, hydrobromide, (+-)-
RN: 105831-70-7
InChIKey: SOCWYKXOOOZLQP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O3.Br-H

Molecular Weight

  • 304.1822
 
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Names and Synonyms

Synonyms

  • (+-)-5-(2-(Cyclobutylamino)-1-hydroxyethyl)-1,3-benzenediol hydrobromide
  • KWD2025

Systematic Name

  • 1,3-Benzenediol, 5-(2-(cyclobutylamino)-1-hydroxyethyl)-, hydrobromide, (+-)-

Registry Numbers

CAS Registry Number

  • 105831-70-7

System Generated Number

  • 0105831707

Molecular Formulas

Molecular Formula

  • C12-H17-N-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C12-H17-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17NO3.BrH/c14-10-4-8(5-11(15)6-10)12(16)7-13-9-2-1-3-9;/h4-6,9,12-16H,1-3,7H2;1H

InChIKey

SOCWYKXOOOZLQP-UHFFFAOYSA-N

Smiles

c1c(cc(cc1O)O)C(CNC2CCC2)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 54mg/kg (54mg/kg)   United States Patent Document. Vol. #4011258,