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Substance Name: Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester
RN: 109699-57-2
InChIKey: JFSUSZVGXIKYPE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H27-N2-O2.Br

Molecular Weight

  • 347.2943
 
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Names and Synonyms

Synonym

  • 4-Carboxy-1-(2-heptynyl)-1-methylpiperazinium bromide ethyl ester

Systematic Name

  • Piperazinium, 4-carboxy-1-(2-heptynyl)-1-methyl-, bromide, ethyl ester

Registry Numbers

CAS Registry Number

  • 109699-57-2

System Generated Number

  • 0109699572

Molecular Formulas

Molecular Formula

  • C15-H27-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C15-H27-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C15H27N2O2.BrH/c1-4-6-7-8-9-12-17(3)13-10-16(11-14-17)15(18)19-5-2;/h4-7,10-14H2,1-3H3;1H/q+1;/p-1

InChIKey

JFSUSZVGXIKYPE-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2680mg/kg (2680mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 347, 1957.