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Substance Name: Phenol, 2-methoxy-4-(2-(phenethylamino)ethyl)-, hydrochloride
RN: 70044-81-4
InChIKey: YQPYJJMKCVQNHZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O2.Cl-H

Molecular Weight

  • 307.8188
 
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Names and Synonyms

Synonyms

  • Guaiacol, 4-(2-(phenethylamino)ethyl)-, hydrochloride
  • Phenethylamine, 4-hydroxy-3-methoxy-N-phenethyl-, hydrochloride

Systematic Name

  • Phenol, 2-methoxy-4-(2-(phenethylamino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 70044-81-4

System Generated Number

  • 0070044814

Molecular Formulas

Molecular Formula

  • C17-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C17-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NO2.ClH/c1-20-17-13-15(7-8-16(17)19)10-12-18-11-9-14-5-3-2-4-6-14;/h2-8,13,18-19H,9-12H2,1H3;1H

InChIKey

YQPYJJMKCVQNHZ-UHFFFAOYSA-N

Smiles

COc1cc(ccc1O)CCNCCc2ccccc2.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.