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Substance Name: Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)
RN: 59083-66-8
InChIKey: NUUCALHLARACKO-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2.C8-H8-O8

Molecular Weight

  • 422.4314
 
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Names and Synonyms

Synonym

  • 1-((4-Methylphenyl)methyl)piperazine (Z)-2-butenedioate (1:2)

Systematic Name

  • Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 59083-66-8

System Generated Number

  • 0059083668

Molecular Formulas

Molecular Formula

  • C12-H18-N2.C8-H8-O8

Molecular Formula Fragments

  • C12-H18-N2
  • C8-H8-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18N2.2C4H4O4/c1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14;2*5-3(6)1-2-4(7)8/h2-5,13H,6-10H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

NUUCALHLARACKO-LVEZLNDCSA-N

Smiles

Cc1ccc(cc1)CN2CCNCC2.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 100mg/kg (100mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3904, 1975.