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Substance Name: Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, hydrobromide
RN: 70044-79-0
InChIKey: WWAVEZNLTVZOGT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N-O2.Br-H

Molecular Weight

  • 338.243
 
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Names and Synonyms

Synonyms

  • 1,2-Benzenediol, 4-(2-(phenethylamino)ethyl)-, hydrobromide
  • Dopamine, N-(2-phenethyl)-, hydrobromide
  • Phenethylamine, 3,4-dihydroxy-N-phenethyl-, hydrobromide

Systematic Name

  • Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 70044-79-0

System Generated Number

  • 0070044790

Molecular Formulas

Molecular Formula

  • C16-H19-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C16-H19-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19NO2.BrH/c18-15-7-6-14(12-16(15)19)9-11-17-10-8-13-4-2-1-3-5-13;/h1-7,12,17-19H,8-11H2;1H

InChIKey

WWAVEZNLTVZOGT-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCNCCc2ccc(c(c2)O)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 553, 1978.