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Substance Name: 1-Piperazineethanol, 4-(1-(5-chloro-2-((2-chlorophenyl)thio)phenyl)ethyl)-, (Z)-2-butenedioate (1:2)
RN: 112446-53-4
InChIKey: RTJSBTVFXSUYFT-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-Cl2-N2-O-S.2C4-H4-O4

Molecular Weight

  • 643.5378
 
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Names and Synonyms

Synonym

  • 4-(1-(5-Chloro-2-((2-chlorophenyl)thio)phenyl)ethyl)-1-piperazineethanol bismaleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112446-53-4

System Generated Number

  • 0112446534

Molecular Formulas

Molecular Formula

  • C20-H24-Cl2-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C20-H24-Cl2-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24Cl2N2OS.2C4H4O4/c1-15(24-10-8-23(9-11-24)12-13-25)17-14-16(21)6-7-19(17)26-20-5-3-2-4-18(20)22;2*5-3(6)1-2-4(7)8/h2-7,14-15,25H,8-13H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

RTJSBTVFXSUYFT-SPIKMXEPSA-N

Smiles

CC(N1CCN(CC1)CCO)c2c(ccc(c2)Cl)Sc3c(cccc3)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 30mg/kg (30mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1062, 1987.