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Substance Name: Acetamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis(2-(2,4,5-trichlorophenoxy)-, dihydrochloride, dihydrate
RN: 86758-79-4
InChIKey: XMNGELPYVKIBQY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-Cl6-N4-O4.2Cl-H.2H2-O

Molecular Weight

  • 748.1868
 
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Names and Synonyms

Synonym

  • 1,4-Bis(3-(2,4,5-trichlorophenoxyacetamido)propyl)piperazine dihydrochloride dihydrate

Systematic Name

  • Acetamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis(2-(2,4,5-trichlorophenoxy)-, dihydrochloride, dihydrate

Registry Numbers

CAS Registry Number

  • 86758-79-4

System Generated Number

  • 0086758794

Molecular Formulas

Molecular Formula

  • C26-H30-Cl6-N4-O4.2Cl-H.2H2-O

Molecular Formula Fragments

  • C26-H30-Cl6-N4-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H30Cl6N4O4.2ClH/c27-17-11-21(31)23(13-19(17)29)39-15-25(37)33-3-1-5-35-7-9-36(10-8-35)6-2-4-34-26(38)16-40-24-14-20(30)18(28)12-22(24)32;;/h11-14H,1-10,15-16H2,(H,33,37)(H,34,38);2*1H

InChIKey

XMNGELPYVKIBQY-UHFFFAOYSA-N

Smiles

c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)NCCCN2CCN(CC2)CCCNC(=O)COc3cc(c(cc3Cl)Cl)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1089, 1983.