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Substance Name: 1-Piperazinecarboxylic acid, 4-(2-(4-(4-fluorophenyl)-1-piperazinyl)ethyl)-, ethyl ester, (E)-2-butenedioate (1:2)
RN: 65274-75-1
InChIKey: SSQUDTFTFDHPGO-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H29-F-N4-O2.2C4-H4-O4

Molecular Weight

  • 596.6053
 
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Names and Synonyms

Synonym

  • ((p-Fluorophenyl)-4 piperazinyl-1)-1 ((ethoxycarbonyl)-4 piperazinyl-1)-2 ethane difumarate

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-(2-(4-(4-fluorophenyl)-1-piperazinyl)ethyl)-, ethyl ester, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 65274-75-1

System Generated Number

  • 0065274751

Molecular Formulas

Molecular Formula

  • C19-H29-F-N4-O2.2C4-H4-O4

Molecular Formula Fragments

  • C19-H29-F-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H29FN4O2.2C4H4O4/c1-2-26-19(25)24-15-11-22(12-16-24)8-7-21-9-13-23(14-10-21)18-5-3-17(20)4-6-18;2*5-3(6)1-2-4(7)8/h3-6H,2,7-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

SSQUDTFTFDHPGO-LVEZLNDCSA-N

Smiles

CCOC(=O)N1CCN(CC1)CCN2CCN(CC2)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 880mg/kg (880mg/kg)   French Demande Patent Document. Vol. #2326923,