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Substance Name: Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-ethyl-, iodide
RN: 7347-90-2
InChIKey: JMUBJRZYTAHPSE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-N-O.I

Molecular Weight

  • 465.412
 
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Names and Synonyms

Synonym

  • 1-(1-((2-Benzylphenoxy)methyl)ethyl)-1-ethylpiperidinium iodide

Systematic Name

  • Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-ethyl-, iodide

Registry Numbers

CAS Registry Number

  • 7347-90-2

System Generated Number

  • 0007347902

Molecular Formulas

Molecular Formula

  • C23-H32-N-O.I

Molecular Formula Fragments

  • C23-H32-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C23H32NO.HI/c1-3-24(16-10-5-11-17-24)20(2)19-25-23-15-9-8-14-22(23)18-21-12-6-4-7-13-21;/h4,6-9,12-15,20H,3,5,10-11,16-19H2,1-2H3;1H/q+1;/p-1

InChIKey

JMUBJRZYTAHPSE-UHFFFAOYSA-M

Smiles

[N+]1(CCCCC1)([C@@H](COc1c(cccc1)Cc1ccccc1)C)CC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 74mg/kg (74mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.