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Substance Name: Ethanone, 1-(2,5-bis(3-(4-(3-chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)-, tetrahydrochloride
RN: 87049-25-0
InChIKey: ZZKCFWLDEOBKCY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H42-Cl2-N4-O5.4Cl-H

Molecular Weight

  • 803.478
 
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Names and Synonyms

Synonym

  • 1-(2,5-Bis(3-(4-(3-chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)ethanone 4HCl

Systematic Name

  • Ethanone, 1-(2,5-bis(3-(4-(3-chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)-, tetrahydrochloride

Registry Numbers

CAS Registry Number

  • 87049-25-0

System Generated Number

  • 0087049250

Molecular Formulas

Molecular Formula

  • C34-H42-Cl2-N4-O5.4Cl-H

Molecular Formula Fragments

  • C34-H42-Cl2-N4-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H42Cl2N4O5.4ClH/c1-25(41)33-20-32(44-23-30(42)21-37-10-14-39(15-11-37)28-6-2-4-26(35)18-28)8-9-34(33)45-24-31(43)22-38-12-16-40(17-13-38)29-7-3-5-27(36)19-29;;;;/h2-9,18-20,30-31,42-43H,10-17,21-24H2,1H3;4*1H

InChIKey

ZZKCFWLDEOBKCY-UHFFFAOYSA-N

Smiles

N1(c2cc(Cl)ccc2)CCN(CC1)C[C@@H](COc1c(C(=O)C)cc(cc1)OC[C@@H](CN1CCN(CC1)c1cc(Cl)ccc1)O)O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 140, 1983.