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Substance Name: Piperazine, 1-phenyl-4-((2,4,6-trimethylphenyl)methyl)-, (Z)-2-butenedioate (1:1)
RN: 61014-81-1
InChIKey: WNAZYJCXBULSMM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N2.C4-H4-O4

Molecular Weight

  • 410.511
 
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Names and Synonyms

Synonym

  • 1-Phenyl-4-((2,4,6-trimethylphenyl)methyl)piperazine (Z)-2-butenedioate

Systematic Name

  • Piperazine, 1-phenyl-4-((2,4,6-trimethylphenyl)methyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 61014-81-1

System Generated Number

  • 0061014811

Molecular Formulas

Molecular Formula

  • C20-H26-N2.C4-H4-O4

Molecular Formula Fragments

  • C20-H26-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2.C4H4O4/c1-16-13-17(2)20(18(3)14-16)15-21-9-11-22(12-10-21)19-7-5-4-6-8-19;5-3(6)1-2-4(7)8/h4-8,13-14H,9-12,15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

WNAZYJCXBULSMM-WLHGVMLRSA-N

Smiles

Cc1cc(c(c(c1)C)CN2CCN(CC2)c3ccccc3)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 1035, 1976.