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Substance Name: Piperidinium, 1-(2-hydroxyethyl)-1-nonyl-, bromide, o-(pentyloxy)carbanilate
RN: 70939-59-2
InChIKey: DOMPEFBJLRHMFV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H49-N2-O3.Br

Molecular Weight

  • 541.6101
 
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Names and Synonyms

Synonyms

  • 1-(2-Hydroxyethyl)-1-nonylpiperidinium bromide o-(pentyloxy)carbanilate
  • Piperidinium, 1-nonyl-1-(2-((((2-(pentyloxy)phenyl)amino)carbonyl)oxy)ethyl)-, bromide

Systematic Name

  • Piperidinium, 1-(2-hydroxyethyl)-1-nonyl-, bromide, o-(pentyloxy)carbanilate

Registry Numbers

CAS Registry Number

  • 70939-59-2

System Generated Number

  • 0070939592

Molecular Formulas

Molecular Formula

  • C28-H49-N2-O3.Br

Molecular Formula Fragments

  • Br
  • C28-H49-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H48N2O3.BrH/c1-3-5-7-8-9-10-14-20-30(21-15-11-16-22-30)23-25-33-28(31)29-26-18-12-13-19-27(26)32-24-17-6-4-2;/h12-13,18-19H,3-11,14-17,20-25H2,1-2H3;1H

InChIKey

DOMPEFBJLRHMFV-UHFFFAOYSA-N

Smiles

CCCCCCCCC[N+]1(CCCCC1)CCOC(=O)Nc2ccccc2OCCCCC.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Cesko-Slovenska Farmacie. Vol. 27, Pg. 427, 1978.