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Substance Name: 1-Piperazineethanol, 4-methyl-alpha-phenyl-, o-ethoxybenzoate (ester), dihydrochloride
RN: 114000-42-9
InChIKey: XRLOOLCRLDTBMC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O3.2Cl-H

Molecular Weight

  • 441.396
 
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Names and Synonyms

Synonyms

  • 4-Methyl-alpha-phenyl-1-piperazineethanol o-ethoxybenzoate (ester) dihydrochloride
  • Benzoic acid, o-ethoxy-, alpha-(4-methyl-1-piperazinylmethyl)benzyl ester, dihydrochloride

Systematic Name

  • 1-Piperazineethanol, 4-methyl-alpha-phenyl-, o-ethoxybenzoate (ester), dihydrochloride

Registry Numbers

CAS Registry Number

  • 114000-42-9

System Generated Number

  • 0114000429

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O3.2Cl-H

Molecular Formula Fragments

  • C22-H28-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N2O3.2ClH/c1-3-26-20-12-8-7-11-19(20)22(25)27-21(18-9-5-4-6-10-18)17-24-15-13-23(2)14-16-24;;/h4-12,21H,3,13-17H2,1-2H3;2*1H

InChIKey

XRLOOLCRLDTBMC-UHFFFAOYSA-N

Smiles

CCOc1ccccc1C(=O)OC(CN2CCN(CC2)C)c3ccccc3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 500mg/kg (500mg/kg)   Journal of the American Chemical Society. Vol. 81, Pg. 203, 1959.