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Substance Name: Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
RN: 59083-70-4
InChIKey: QVGNHFIHOUIJKE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-S.C4-H4-O4

Molecular Weight

  • 338.4258
 
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Names and Synonyms

Synonym

  • 1-((2-(Methylthio)phenyl)methyl)piperazine (Z)-2-butenedioate (1:1)

Systematic Name

  • Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 59083-70-4

System Generated Number

  • 0059083704

Molecular Formulas

Molecular Formula

  • C12-H18-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C12-H18-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18N2S.C4H4O4/c1-15-12-5-3-2-4-11(12)10-14-8-6-13-7-9-14;5-3(6)1-2-4(7)8/h2-5,13H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QVGNHFIHOUIJKE-WLHGVMLRSA-N

Smiles

CSc1ccccc1CN2CCNCC2.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3904, 1975.