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Substance Name: 1-Piperazinepropionic acid, 4-(2-(phenyl-alpha,alpha,alpha-trifluoro-m-tolylmethoxy)ethyl)-, dimaleate
RN: 61897-07-2
InChIKey: OIXGPWPLIFMKSA-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-F3-N2-O3.2C4-H4-O4

Molecular Weight

  • 668.6145
 
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Names and Synonyms

Synonym

  • 1-Piperazinepropanoic acid, 4-(2-(phenyl(3-(trifluoromethyl)phenyl)methoxy)ethyl)-, dimaleate

Systematic Name

  • 1-Piperazinepropionic acid, 4-(2-(phenyl-alpha,alpha,alpha-trifluoro-m-tolylmethoxy)ethyl)-, dimaleate

Registry Numbers

CAS Registry Number

  • 61897-07-2

System Generated Number

  • 0061897072

Molecular Formulas

Molecular Formula

  • C23-H27-F3-N2-O3.2C4-H4-O4

Molecular Formula Fragments

  • C23-H27-F3-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27F3N2O3.2C4H4O4/c24-23(25,26)20-8-4-7-19(17-20)22(18-5-2-1-3-6-18)31-16-15-28-13-11-27(12-14-28)10-9-21(29)30;2*5-3(6)1-2-4(7)8/h1-8,17,22H,9-16H2,(H,29,30);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

OIXGPWPLIFMKSA-LVEZLNDCSA-N

Smiles

c1ccc(cc1)C(OCCN2CCN(CC2)CCC(=O)O)c3cc(ccc3)C(F)(F)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 1204mg/kg (1204mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.