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Substance Name: 1-Piperazineethanol, 4-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-, (Z)-2-butenedioate (1:2)
RN: 112446-54-5
InChIKey: GYHSLNRVUNVYSU-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl3-N2-O-S.2C4-H4-O4

Molecular Weight

  • 677.9829
 
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Names and Synonyms

Synonym

  • 4-(1-(5-Chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-1-piperazineethanol bismaleate

Systematic Name

  • 1-Piperazineethanol, 4-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 112446-54-5

System Generated Number

  • 0112446545

Molecular Formulas

Molecular Formula

  • C20-H23-Cl3-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C20-H23-Cl3-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23Cl3N2OS.2C4H4O4/c1-14(25-8-6-24(7-9-25)10-11-26)17-12-15(21)2-5-20(17)27-16-3-4-18(22)19(23)13-16;2*5-3(6)1-2-4(7)8/h2-5,12-14,26H,6-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

GYHSLNRVUNVYSU-SPIKMXEPSA-N

Smiles

CC(N1CCN(CC1)CCO)c2c(ccc(c2)Cl)Sc3cc(c(cc3)Cl)Cl.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 125mg/kg (125mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1062, 1987.