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Substance Name: 1,3-Benzenediol, 4-(3-((1-methyl-2-phenylethyl)amino)-1-phenylpropyl)-, hydrochloride
RN: 103849-39-4
InChIKey: QLGFHIADXZUDML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-N-O2.Cl-H

Molecular Weight

  • 397.9432
 
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Names and Synonyms

Synonym

  • 4-(3-((1-Methyl-2-phenylethyl)amino)-1-phenylpropyl)-1,3-benzenediol hydrochloride

Systematic Name

  • 1,3-Benzenediol, 4-(3-((1-methyl-2-phenylethyl)amino)-1-phenylpropyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 103849-39-4

System Generated Number

  • 0103849394

Molecular Formulas

Molecular Formula

  • C24-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C24-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27NO2.ClH/c1-18(16-19-8-4-2-5-9-19)25-15-14-22(20-10-6-3-7-11-20)23-13-12-21(26)17-24(23)27;/h2-13,17-18,22,25-27H,14-16H2,1H3;1H

InChIKey

QLGFHIADXZUDML-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)[C@@H](CCN[C@@H](Cc1ccccc1)C)c1ccccc1)O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 128mg/kg (128mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 558, 1985.