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Substance Name: 1-Piperazinepropionic acid, 4-(2-(p-fluorophenyl-phenylmethoxy)ethyl)-, dimaleate
RN: 61897-05-0
InChIKey: GBKXTVMZPAEDSP-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-F-N2-O3.2C4-H4-O4

Molecular Weight

  • 618.6075
 
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Names and Synonyms

Synonyms

  • 1-(2-((4-Fluorobenzhydryl)oxy)ethyl)-4-(2-carboxyethyl)piperazine dimaleate
  • 1-Piperazinepropanoic acid, 4-(2-((4-fluorophenyl)phenylmethoxy)ethyl)-, (Z)-2-butenedioate
  • 4-(2-(p-Fluorophenyl-phenylmethoxy)ethyl)-1-piperazinepropionic acid dimaleate

Systematic Name

  • 1-Piperazinepropionic acid, 4-(2-(p-fluorophenyl-phenylmethoxy)ethyl)-, dimaleate

Registry Numbers

CAS Registry Number

  • 61897-05-0

System Generated Number

  • 0061897050

Molecular Formulas

Molecular Formula

  • C22-H27-F-N2-O3.2C4-H4-O4

Molecular Formula Fragments

  • C22-H27-F-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27FN2O3.2C4H4O4/c23-20-8-6-19(7-9-20)22(18-4-2-1-3-5-18)28-17-16-25-14-12-24(13-15-25)11-10-21(26)27;2*5-3(6)1-2-4(7)8/h1-9,22H,10-17H2,(H,26,27);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

GBKXTVMZPAEDSP-LVEZLNDCSA-N

Smiles

c1ccc(cc1)C(OCCN2CCN(CC2)CCC(=O)O)c3ccc(cc3)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 804mg/kg (804mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.