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Substance Name: Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester
RN: 109964-28-5
InChIKey: JPEUNBKDFMBSCG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H33-N2-O2.Br

Molecular Weight

  • 389.3747
 
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Names and Synonyms

Synonym

  • 4-Carboxy-1-octyl-1-(2-propynyl)piperazinium bromide ethyl ester

Systematic Name

  • Piperazinium, 4-carboxy-1-octyl-1-(2-propynyl)-, bromide, ethyl ester

Registry Numbers

CAS Registry Number

  • 109964-28-5

System Generated Number

  • 0109964285

Molecular Formulas

Molecular Formula

  • C18-H33-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C18-H33-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H33N2O2.BrH/c1-4-7-8-9-10-11-15-20(14-5-2)16-12-19(13-17-20)18(21)22-6-3;/h2H,4,6-17H2,1,3H3;1H/q+1;/p-1

InChIKey

JPEUNBKDFMBSCG-UHFFFAOYSA-M

Smiles

CCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC#C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 347, 1957.