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Substance Name: Pyridinium, 3-amino-1-(2-hydroxy-3-(4-nitrophenoxy)propyl)-, chloride, monohydrochloride
RN: 64511-88-2
InChIKey: ZPMRVLGDKCYMEK-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N3-O4.Cl-H.Cl

Molecular Weight

  • 362.2113
 
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Names and Synonyms

Synonym

  • 3-Amino-1-(2-hydroxy-3-(4-nitrophenoxy)propyl)pyridinium chloride monohydrochloride

Systematic Name

  • Pyridinium, 3-amino-1-(2-hydroxy-3-(4-nitrophenoxy)propyl)-, chloride, monohydrochloride

Registry Numbers

CAS Registry Number

  • 64511-88-2

System Generated Number

  • 0064511882

Molecular Formulas

Molecular Formula

  • C14-H16-N3-O4.Cl-H.Cl

Molecular Formula Fragments

  • C14-H16-N3-O4
  • Cl
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H16N3O4.2ClH/c15-11-2-1-7-16(8-11)9-13(18)10-21-14-5-3-12(4-6-14)17(19)20;;/h1-8,13,18H,9-10,15H2;2*1H/q+1;;/p-1

InChIKey

ZPMRVLGDKCYMEK-UHFFFAOYSA-M

Smiles

c1cc(c[n+](c1)CC(COc2ccc(cc2)[N+](=O)[O-])O)N.Cl.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5mg/kg (5mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 15, Pg. 466, 1977.