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Substance Name: Piperazine, 1-((3-chlorophenyl)methyl)-, (Z)-2-butenedioate (1:1)
RN: 59083-68-0
InChIKey: ZESXKBQZSORHRN-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H15-Cl-N2.C4-H4-O4

Molecular Weight

  • 326.7781
 
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Names and Synonyms

Synonym

  • 1-((3-Chlorophenyl)methyl)piperazine (Z)-2-butenedioate (1:1)

Systematic Name

  • Piperazine, 1-((3-chlorophenyl)methyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 59083-68-0

System Generated Number

  • 0059083680

Molecular Formulas

Molecular Formula

  • C11-H15-Cl-N2.C4-H4-O4

Molecular Formula Fragments

  • C11-H15-Cl-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H15ClN2.C4H4O4/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14;5-3(6)1-2-4(7)8/h1-3,8,13H,4-7,9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ZESXKBQZSORHRN-WLHGVMLRSA-N

Smiles

c1cc(cc(c1)Cl)CN2CCNCC2.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 55mg/kg (55mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3904, 1975.