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Substance Name: 1-Piperazinepropionic acid, 4-(2-(bis(p-fluorophenyl)methoxy)ethl)-, dimaleate
RN: 61897-17-4
InChIKey: HYWRMUHFEVEJQI-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-F2-N2-O3.2C4-H4-O4

Molecular Weight

  • 636.5976
 
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Names and Synonyms

Synonyms

  • 1-Piperazinepropanoic acid, 4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-, (Z)-2-butenedioate
  • 4-(2-(Bis(p-fluorophenyl)methoxy)ethyl)-1-piperazinepropionic acid dimaleate

Systematic Name

  • 1-Piperazinepropionic acid, 4-(2-(bis(p-fluorophenyl)methoxy)ethl)-, dimaleate

Registry Numbers

CAS Registry Number

  • 61897-17-4

System Generated Number

  • 0061897174

Molecular Formulas

Molecular Formula

  • C22-H26-F2-N2-O3.2C4-H4-O4

Molecular Formula Fragments

  • C22-H26-F2-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26F2N2O3.2C4H4O4/c23-19-5-1-17(2-6-19)22(18-3-7-20(24)8-4-18)29-16-15-26-13-11-25(12-14-26)10-9-21(27)28;2*5-3(6)1-2-4(7)8/h1-8,22H,9-16H2,(H,27,28);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

HYWRMUHFEVEJQI-LVEZLNDCSA-N

Smiles

c1c(ccc(c1)F)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 700mg/kg (700mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.