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Substance Name: 1-Piperazineethanol, 4-(2-methoxyphenyl)-alpha-((4-nitrophenoxy)methyl)-
RN: 64511-29-1
InChIKey: OMKPBEYCDIHBEY-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-(2-Methoxyphenyl)-alpha-((4-nitrophenoxy)methyl)-1-piperazineethanol
  • 5-23-02-00135 (Beilstein Handbook Reference)
  • BRN 0631890

Systematic Name

  • 1-Piperazineethanol, 4-(2-methoxyphenyl)-alpha-((4-nitrophenoxy)methyl)-

Registry Numbers

CAS Registry Number

  • 64511-29-1

System Generated Number

  • 0064511291

Structure Descriptors

InChI

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

InChIKey

OMKPBEYCDIHBEY-UHFFFAOYSA-N

Smiles

COc1ccccc1N2CCN(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.