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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-hydroxy-3-(4-nitrophenoxy)propyl)-1-piperazinyl)-, dihydrochloride
RN: 40943-89-3
InChIKey: OTYCNBHVEHRAPQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-F-N3-O5.2Cl-H

Molecular Weight

  • 518.41
 
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Names and Synonyms

Synonyms

  • 1-(4-Fluorophenyl)-4-(4-(2-hydroxy-3-(4-nitrophenoxy)propyl)-1-piperazinyl)-1-butanone 2HCl
  • N1-(3-(4'-Fluorobenzoyl)propyl)-N2-(3-(4'-nitrophenoxy)-2-hydroxypropyl)piperazine 2HCl

Systematic Name

  • 1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-hydroxy-3-(4-nitrophenoxy)propyl)-1-piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 40943-89-3

System Generated Number

  • 0040943893

Molecular Formulas

Molecular Formula

  • C23-H28-F-N3-O5.2Cl-H

Molecular Formula Fragments

  • C23-H28-F-N3-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28FN3O5.2ClH/c24-19-5-3-18(4-6-19)23(29)2-1-11-25-12-14-26(15-13-25)16-21(28)17-32-22-9-7-20(8-10-22)27(30)31;;/h3-10,21,28H,1-2,11-17H2;2*1H

InChIKey

OTYCNBHVEHRAPQ-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)CCCN2CCN(CC2)CC(COc3ccc(cc3)[N+](=O)[O-])O)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 147mg/kg (147mg/kg)   United States Patent Document. Vol. #3869459,