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Substance Name: Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide
RN: 70045-12-4
InChIKey: IMOJFYXUCOAOMM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N-O2.Br-H

Molecular Weight

  • 394.3502
 
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Names and Synonyms

Synonym

  • 4-(2-(N-Butylphenethylamino)ethyl)pyrocatechol hydrobromide

Systematic Name

  • Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 70045-12-4

System Generated Number

  • 0070045124

Molecular Formulas

Molecular Formula

  • C20-H27-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H27-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27NO2.BrH/c1-2-3-13-21(14-11-17-7-5-4-6-8-17)15-12-18-9-10-19(22)20(23)16-18;/h4-10,16,22-23H,2-3,11-15H2,1H3;1H

InChIKey

IMOJFYXUCOAOMM-UHFFFAOYSA-N

Smiles

CCCCN(CCc1ccccc1)CCc2ccc(c(c2)O)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 553, 1978.