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Substance Name: Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride
RN: 87049-19-2
InChIKey: HEQNFQNRFOLLQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H40-N4-O5.4Cl-H

Molecular Weight

  • 610.447
 
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Names and Synonyms

Synonyms

  • 1-(2,4-Bis(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)phenyl)ethanone tetrahydrochloride
  • 2,4-Bis((3-hydroxy-4-methylpiperazinyl)propoxy)acetophenone tetrahydrochloride

Systematic Name

  • Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride

Registry Numbers

CAS Registry Number

  • 87049-19-2

System Generated Number

  • 0087049192

Molecular Formulas

Molecular Formula

  • C24-H40-N4-O5.4Cl-H

Molecular Formula Fragments

  • C24-H40-N4-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H40N4O5.4ClH/c1-19(29)23-5-4-22(32-17-20(30)15-27-10-6-25(2)7-11-27)14-24(23)33-18-21(31)16-28-12-8-26(3)9-13-28;;;;/h4-5,14,20-21,30-31H,6-13,15-18H2,1-3H3;4*1H

InChIKey

HEQNFQNRFOLLQW-UHFFFAOYSA-N

Smiles

N1(C[C@@H](COc2c(ccc(c2)OC[C@@H](CN2CCN(CC2)C)O)C(=O)C)O)CCN(C)CC1.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 140, 1983.