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Substance Name: 1-Piperazinepropionic acid, 4-(2-(bis(p-fluorophenyl)methoxy)ethyl)-, ethyl ester, dihydrochloride
RN: 61897-31-2
InChIKey: HEPQJDDYYBWZNI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-F2-N2-O3.2Cl-H

Molecular Weight

  • 505.4298
 
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Names and Synonyms

Synonyms

  • 1-Piperazinepropanoic acid, 4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-, ethyl ester, 2HCl
  • 4-(2-(Bis(p-fluorophenyl)methoxy)ethyl)-1-piperazinepropionic acid ethyl ester 2HCl

Systematic Name

  • 1-Piperazinepropionic acid, 4-(2-(bis(p-fluorophenyl)methoxy)ethyl)-, ethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 61897-31-2

System Generated Number

  • 0061897312

Molecular Formulas

Molecular Formula

  • C24-H30-F2-N2-O3.2Cl-H

Molecular Formula Fragments

  • C24-H30-F2-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30F2N2O3.2ClH/c1-2-30-23(29)11-12-27-13-15-28(16-14-27)17-18-31-24(19-3-7-21(25)8-4-19)20-5-9-22(26)10-6-20;;/h3-10,24H,2,11-18H2,1H3;2*1H

InChIKey

HEPQJDDYYBWZNI-UHFFFAOYSA-N

Smiles

CCOC(=O)CCN1CCN(CC1)CCOC(c2ccc(cc2)F)c3ccc(cc3)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 607mg/kg (607mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.