Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Piperazinepropionic acid, 4-(2-((p-nitrophenyl)phenylmethoxy)ethyl)-, ethyl ester, dihydrochloride
RN: 61897-30-1
InChIKey: DAKRLZLVOJIMJL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N3-O5.2Cl-H

Molecular Weight

  • 514.4467
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-Piperazinepropanoic acid, 4-(2-((4-nitrophenyl)phenylmethoxy)ethyl)-, ethyl ester, 2HCl
  • 4-(2-(p-Nitrophenyl-phenylmethoxy)ethyl)-1-piperazinepropionic acid ethyl ester 2HCl

Systematic Name

  • 1-Piperazinepropionic acid, 4-(2-((p-nitrophenyl)phenylmethoxy)ethyl)-, ethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 61897-30-1

System Generated Number

  • 0061897301

Molecular Formulas

Molecular Formula

  • C24-H31-N3-O5.2Cl-H

Molecular Formula Fragments

  • C24-H31-N3-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31N3O5.2ClH/c1-2-31-23(28)12-13-25-14-16-26(17-15-25)18-19-32-24(20-6-4-3-5-7-20)21-8-10-22(11-9-21)27(29)30;;/h3-11,24H,2,12-19H2,1H3;2*1H

InChIKey

DAKRLZLVOJIMJL-UHFFFAOYSA-N

Smiles

CCOC(=O)CCN1CCN(CC1)CCOC(c2ccccc2)c3ccc(cc3)[N+](=O)[O-].Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1543mg/kg (1543mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.