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Substance Name: Piperazine, 1-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-4-(2-methoxyethyl)-, (Z)-2-butenedioate (1:2)
RN: 112446-56-7
InChIKey: PHFZZQQHRVWYHL-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl3-N2-O-S.2C4-H4-O4

Molecular Weight

  • 692.0097
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 112446-56-7

System Generated Number

  • 0112446567

Molecular Formulas

Molecular Formula

  • C21-H25-Cl3-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C21-H25-Cl3-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25Cl3N2OS.2C4H4O4/c1-15(26-9-7-25(8-10-26)11-12-27-2)18-13-16(22)3-6-21(18)28-17-4-5-19(23)20(24)14-17;2*5-3(6)1-2-4(7)8/h3-6,13-15H,7-12H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

PHFZZQQHRVWYHL-SPIKMXEPSA-N

Smiles

CC(N1CCN(CC1)CCOC)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 100mg/kg (100mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1062, 1987.