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Substance Name: 1-Piperazineethanol, 4-(3-methoxyphenyl)-alpha-((4-nitrophenoxy)methyl)-
RN: 64511-31-5
InChIKey: VOVDABIQAVJSPS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N3-O5

Molecular Weight

  • 387.4335
 
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Names and Synonyms

Synonyms

  • 4-(3-Methoxyphenyl)-alpha-((4-nitrophenoxy)methyl)-1-piperazineethanol
  • 5-23-02-00145 (Beilstein Handbook Reference)
  • BRN 0584952

Systematic Name

  • 1-Piperazineethanol, 4-(3-methoxyphenyl)-alpha-((4-nitrophenoxy)methyl)-

Registry Numbers

CAS Registry Number

  • 64511-31-5

System Generated Number

  • 0064511315

Structure Descriptors

InChI

1S/C20H25N3O5/c1-27-20-4-2-3-17(13-20)22-11-9-21(10-12-22)14-18(24)15-28-19-7-5-16(6-8-19)23(25)26/h2-8,13,18,24H,9-12,14-15H2,1H3

InChIKey

VOVDABIQAVJSPS-UHFFFAOYSA-N

Smiles

COc1cccc(c1)N2CCN(CC2)CC(COc3ccc(cc3)[N+](=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 15, Pg. 466, 1977.