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Substance Name: Piperazine, 1-methyl-4-(2-(phenylthio)-1-(2-thienyl)ethyl)-, (Z)-2-butenedioate (1:2)
RN: 40028-18-0
InChIKey: PIRZQNNFGBIJBG-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-N2-S2.2C4-H4-O4

Molecular Weight

  • 550.65
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-(2-(phenylthio)-1-(2-thienyl)ethyl)piperazine dimaleate

Systematic Name

  • Piperazine, 1-methyl-4-(2-(phenylthio)-1-(2-thienyl)ethyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 40028-18-0

System Generated Number

  • 0040028180

Molecular Formulas

Molecular Formula

  • C17-H22-N2-S2.2C4-H4-O4

Molecular Formula Fragments

  • C17-H22-N2-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H22N2S2.2C4H4O4/c1-18-9-11-19(12-10-18)16(17-8-5-13-20-17)14-21-15-6-3-2-4-7-15;2*5-3(6)1-2-4(7)8/h2-8,13,16H,9-12,14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

PIRZQNNFGBIJBG-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)C(c2sccc2)CSc3ccccc3.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 oral 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3124, 1972.