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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-, acetate (ester), (Z)-2-butenedioate (1:2)
RN: 68379-26-0
InChIKey: GYSMFCDQTRNICA-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-F2-N2-O2.2C4-H4-O4

Molecular Weight

  • 648.6522
 
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Names and Synonyms

Synonyms

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-acetoxyethyl)piperazine bis(hydrogen maleate)
  • 4-(4,4-Bis(4-fluorophenyl)butyl)-1-piperazineethanol acetate (Z)-2-butenedioate (1:2)
  • VUFB-10673

Systematic Name

  • 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-, acetate (ester), (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 68379-26-0

System Generated Number

  • 0068379260

Molecular Formulas

Molecular Formula

  • C24-H30-F2-N2-O2.2C4-H4-O4

Molecular Formula Fragments

  • C24-H30-F2-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30F2N2O2.2C4H4O4/c1-19(29)30-18-17-28-15-13-27(14-16-28)12-2-3-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21;2*5-3(6)1-2-4(7)8/h4-11,24H,2-3,12-18H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

GYSMFCDQTRNICA-LVEZLNDCSA-N

Smiles

CC(=O)OCCN1CCN(CC1)CCCC(c2ccc(cc2)F)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 intravenous 60mg/kg (60mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 1760, 1978.