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Substance Name: Piperazine, 1-((2,4-dimethoxyphenyl)methyl)-4-((4-fluorophenyl)phenylmethyl)-, (E)-2-butenedioate (1:1)
RN: 101477-46-7
InChIKey: JXDKIRAUYBNFDA-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H29-F-N2-O2.C4-H4-O4

Molecular Weight

  • 536.5967
 
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Names and Synonyms

Synonym

  • 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101477-46-7

System Generated Number

  • 0101477467

Molecular Formulas

Molecular Formula

  • C26-H29-F-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C26-H29-F-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H29FN2O2.C4H4O4/c1-30-24-13-10-22(25(18-24)31-2)19-28-14-16-29(17-15-28)26(20-6-4-3-5-7-20)21-8-11-23(27)12-9-21;5-3(6)1-2-4(7)8/h3-13,18,26H,14-17,19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JXDKIRAUYBNFDA-WLHGVMLRSA-N

Smiles

COc1ccc(c(c1)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 300mg/kg (300mg/kg)   European Patent Application. Vol. #159566,