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Substance Name: 1-Piperazinevaleric acid, 4-(2-((p-fluorophenyl)phenylmethoxy)ethyl)-, dimaleate
RN: 61897-21-0
InChIKey: SHYNDRFDWSPPSU-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-F-N2-O3.2C4-H4-O4

Molecular Weight

  • 646.6611
 
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Names and Synonyms

Synonyms

  • 1-Piperazinepentanoic acid, 4-(2-((4-fluorophenyl)phenylmethoxy)ethyl)-, (Z)-2-butenedioate
  • 4-(2-((4-Fluorophenyl)phenylmethoxy)ethyl)-1-piperazinepentanoic acid (Z)-2-butenedioate (1:2)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61897-21-0

System Generated Number

  • 0061897210

Molecular Formulas

Molecular Formula

  • C24-H31-F-N2-O3.2C4-H4-O4

Molecular Formula Fragments

  • C24-H31-F-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31FN2O3.2C4H4O4/c25-22-11-9-21(10-12-22)24(20-6-2-1-3-7-20)30-19-18-27-16-14-26(15-17-27)13-5-4-8-23(28)29;2*5-3(6)1-2-4(7)8/h1-3,6-7,9-12,24H,4-5,8,13-19H2,(H,28,29);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

SHYNDRFDWSPPSU-LVEZLNDCSA-N

Smiles

c1ccc(cc1)C(OCCN2CCN(CC2)CCCCC(=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 1422mg/kg (1422mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.