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Substance Name: 1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-((4-nitrophenoxy)methyl)-
RN: 64511-36-0
InChIKey: PKLUHCKUANSNAU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-Cl-N3-O4

Molecular Weight

  • 391.8528
 
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Names and Synonyms

Synonyms

  • 4-(4-Chlorophenyl)-alpha-((4-nitrophenoxy)methyl)-1-piperazineethanol
  • 5-23-02-00122 (Beilstein Handbook Reference)
  • BRN 0584567

Systematic Name

  • 1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-((4-nitrophenoxy)methyl)-

Registry Numbers

CAS Registry Number

  • 64511-36-0

System Generated Number

  • 0064511360

Structure Descriptors

InChI

1S/C19H22ClN3O4/c20-15-1-3-16(4-2-15)22-11-9-21(10-12-22)13-18(24)14-27-19-7-5-17(6-8-19)23(25)26/h1-8,18,24H,9-14H2

InChIKey

PKLUHCKUANSNAU-UHFFFAOYSA-N

Smiles

c1cc(ccc1N2CCN(CC2)CC(COc3ccc(cc3)[N+](=O)[O-])O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 15, Pg. 466, 1977.