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Substance Name: 1-Piperidineethanol, 4-hydroxy-alpha-((3-nitrophenoxy)methyl)-4-phenyl-
RN: 64511-80-4
InChIKey: ZMIMBAYMHYCWDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O5

Molecular Weight

  • 372.4186
 
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Names and Synonyms

Synonyms

  • 4-Hydroxy-alpha-((3-nitrophenoxy)methyl)-4-phenyl-1-piperidineethanol
  • 5-21-02-00361 (Beilstein Handbook Reference)
  • BRN 1511392

Systematic Name

  • 1-Piperidineethanol, 4-hydroxy-alpha-((3-nitrophenoxy)methyl)-4-phenyl-

Registry Numbers

CAS Registry Number

  • 64511-80-4

System Generated Number

  • 0064511804

Structure Descriptors

InChI

1S/C20H24N2O5/c23-18(15-27-19-8-4-7-17(13-19)22(25)26)14-21-11-9-20(24,10-12-21)16-5-2-1-3-6-16/h1-8,13,18,23-24H,9-12,14-15H2

InChIKey

ZMIMBAYMHYCWDK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2(CCN(CC2)CC(COc3cccc(c3)[N+](=O)[O-])O)O

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.