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Substance Name: Piperazine, 1-((4-fluorophenyl)phenylmethyl)-4-((2,3,4-trimethoxyphenyl)methyl)-, (E)-2-butenedioate (1:1)
RN: 101477-51-4
InChIKey: QWRQAMKSEXNDRF-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-F-N2-O3.C4-H4-O4

Molecular Weight

  • 566.6225
 
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Names and Synonyms

Synonyms

  • 1-((4-Fluorophenyl)phenylmethyl)-4-((2,3,4-trimethoxyphenyl)methyl)piperazine fumarate
  • 1-(2,3,4-Trimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate

Systematic Name

  • Piperazine, 1-((4-fluorophenyl)phenylmethyl)-4-((2,3,4-trimethoxyphenyl)methyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 101477-51-4

System Generated Number

  • 0101477514

Molecular Formulas

Molecular Formula

  • C27-H31-F-N2-O3.C4-H4-O4

Molecular Formula Fragments

  • C27-H31-F-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H31FN2O3.C4H4O4/c1-31-24-14-11-22(26(32-2)27(24)33-3)19-29-15-17-30(18-16-29)25(20-7-5-4-6-8-20)21-9-12-23(28)13-10-21;5-3(6)1-2-4(7)8/h4-14,25H,15-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QWRQAMKSEXNDRF-WLHGVMLRSA-N

Smiles

COc1ccc(c(c1OC)OC)CN2CCN(CC2)C(c3ccccc3)c4ccc(cc4)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 650mg/kg (650mg/kg)   European Patent Application. Vol. #159566,