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Substance Name: 1-Piperazinepropionic acid, 4-(2-(phenyl-p-tolylmethoxy)ethyl)-, dimaleate
RN: 61897-13-0
InChIKey: UVZFWFDOKJRSTA-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O3.2C4-H4-O4

Molecular Weight

  • 614.6442
 
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Names and Synonyms

Synonyms

  • 1-Piperazinepropanoic acid, 4-(2-((4-methylphenyl)phenylmethoxy)ethyl)-, (Z)-2-butenedioate
  • 4-(2-(Phenyl-p-tolylmethoxy)ethyl)-1-piperazinepropionic acid dimaleate

Systematic Name

  • 1-Piperazinepropionic acid, 4-(2-(phenyl-p-tolylmethoxy)ethyl)-, dimaleate

Registry Numbers

CAS Registry Number

  • 61897-13-0

System Generated Number

  • 0061897130

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O3.2C4-H4-O4

Molecular Formula Fragments

  • C23-H30-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30N2O3.2C4H4O4/c1-19-7-9-21(10-8-19)23(20-5-3-2-4-6-20)28-18-17-25-15-13-24(14-16-25)12-11-22(26)27;2*5-3(6)1-2-4(7)8/h2-10,23H,11-18H2,1H3,(H,26,27);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

UVZFWFDOKJRSTA-LVEZLNDCSA-N

Smiles

Cc1ccc(cc1)C(OCCN2CCN(CC2)CCC(=O)O)c3ccccc3.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 1414mg/kg (1414mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 149, 1980.