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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-(2-nitrophenoxy)ethyl)-1-piperazinyl)-, dihydrochloride
RN: 40987-00-6
InChIKey: GNAWPRCWVXMWSK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-F-N3-O4.2Cl-H

Molecular Weight

  • 488.3842
 
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Names and Synonyms

Synonym

  • N(sup 1)-(3-(4'-Fluorobenzoyl)propyl)-N(sup 2)-(2-(2'-nitrophenoxy)ethyl)piperazine 2HCl

Systematic Name

  • 1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-(2-nitrophenoxy)ethyl)-1-piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 40987-00-6

System Generated Number

  • 0040987006

Molecular Formulas

Molecular Formula

  • C22-H26-F-N3-O4.2Cl-H

Molecular Formula Fragments

  • C22-H26-F-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26FN3O4.2ClH/c23-19-9-7-18(8-10-19)21(27)5-3-11-24-12-14-25(15-13-24)16-17-30-22-6-2-1-4-20(22)26(28)29;;/h1-2,4,6-10H,3,5,11-17H2;2*1H

InChIKey

GNAWPRCWVXMWSK-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)[N+](=O)[O-])OCCN2CCN(CC2)CCCC(=O)c3ccc(cc3)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 415mg/kg (415mg/kg)   United States Patent Document. Vol. #3969356,