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Substance Name: 1-Piperazineethanol, 4-(1-(5-chloro-2-(phenylthio)phenyl)ethyl)-, (Z)-2-butenedioate (1:2)
RN: 112446-52-3
InChIKey: NIXCBRCLNRLBMH-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-Cl-N2-O-S.2C4-H4-O4

Molecular Weight

  • 609.0927
 
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Names and Synonyms

Synonyms

  • 1-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-4-(2-hydroxyethyl)piperazine bis(hydrogen maleate)
  • 4-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-1-piperazineethanol (Z)-2-butenedioate (1:2)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112446-52-3

System Generated Number

  • 0112446523

Molecular Formulas

Molecular Formula

  • C20-H25-Cl-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C20-H25-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25ClN2OS.2C4H4O4/c1-16(23-11-9-22(10-12-23)13-14-24)19-15-17(21)7-8-20(19)25-18-5-3-2-4-6-18;2*5-3(6)1-2-4(7)8/h2-8,15-16,24H,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

NIXCBRCLNRLBMH-SPIKMXEPSA-N

Smiles

CC(N1CCN(CC1)CCO)c2c(ccc(c2)Cl)Sc3ccccc3.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 60mg/kg (60mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1062, 1987.