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Substance Name: Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide
RN: 70044-80-3
InChIKey: RYADHUSUNPUTPW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O4.Br-H

Molecular Weight

  • 422.3166
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70044-80-3

System Generated Number

  • 0070044803

Molecular Formulas

Molecular Formula

  • C20-H23-N-O4.Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H23-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO4.BrH/c1-15(22)24-19-9-8-18(14-20(19)25-16(2)23)11-13-21-12-10-17-6-4-3-5-7-17;/h3-9,14,21H,10-13H2,1-2H3;1H

InChIKey

RYADHUSUNPUTPW-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccc(cc1OC(=O)C)CCNCCc2ccccc2.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 553, 1978.