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Substance Name: Benzenemethanol, 2,4-bis(2-hydroxy-3-((1-methylethyl)amino)propoxy)-alpha-methyl-, dihydrochloride
RN: 87049-33-0
InChIKey: GAYLGXGMJAFPGB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H36-N2-O5.2Cl-H

Molecular Weight

  • 457.4352
 
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Names and Synonyms

Synonyms

  • 1-(alpha-Hydroxyethyl)-2,4-bis(2-hydroxy-3-isopropylaminopropoxy)benzene dihydrochloride
  • 2,4-Bis(2-hydroxy-3-((1-methylethyl)amino)propoxy)-alpha-methylbenzenemethanol 2HCl

Systematic Name

  • Benzenemethanol, 2,4-bis(2-hydroxy-3-((1-methylethyl)amino)propoxy)-alpha-methyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 87049-33-0

System Generated Number

  • 0087049330

Molecular Formulas

Molecular Formula

  • C20-H36-N2-O5.2Cl-H

Molecular Formula Fragments

  • C20-H36-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H36N2O5.2ClH/c1-13(2)21-9-16(24)11-26-18-6-7-19(15(5)23)20(8-18)27-12-17(25)10-22-14(3)4;;/h6-8,13-17,21-25H,9-12H2,1-5H3;2*1H

InChIKey

GAYLGXGMJAFPGB-UHFFFAOYSA-N

Smiles

CC(C)NCC(COc1ccc(c(c1)OCC(CNC(C)C)O)C(C)O)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 46400ug/kg (46.4mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 140, 1983.