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Substance Name: Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride
RN: 70044-86-9
InChIKey: GNJJARSEDSPKEJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O4.Cl-H

Molecular Weight

  • 391.8924
 
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Names and Synonyms

Synonyms

  • 1,2-Benzenediol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride
  • Phenethylamine, 3,4-diacetoxy-N-methyl-N-phenethyl-, hydrochloride

Systematic Name

  • Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride

Registry Numbers

CAS Registry Number

  • 70044-86-9

System Generated Number

  • 0070044869

Molecular Formulas

Molecular Formula

  • C21-H25-N-O4.Cl-H

Molecular Formula Fragments

  • C21-H25-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NO4.ClH/c1-16(23)25-20-10-9-19(15-21(20)26-17(2)24)12-14-22(3)13-11-18-7-5-4-6-8-18;/h4-10,15H,11-14H2,1-3H3;1H

InChIKey

GNJJARSEDSPKEJ-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccc(cc1OC(=O)C)CCN(C)CCc2ccccc2.Cl

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.