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Substance Name: Piperazinium, 4-carboxy-1-methyl-1-undecyl-, bromide, ethyl ester
RN: 109647-44-1
InChIKey: LLDHTNJSNVBRKG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H39-N2-O2.Br

Molecular Weight

  • 407.4331
 
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Names and Synonyms

Synonym

  • 4-Carboxy-1-methyl-1-undecylpiperazinium bromide ethyl ester

Systematic Name

  • Piperazinium, 4-carboxy-1-methyl-1-undecyl-, bromide, ethyl ester

Registry Numbers

CAS Registry Number

  • 109647-44-1

System Generated Number

  • 0109647441

Molecular Formulas

Molecular Formula

  • C19-H39-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C19-H39-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H39N2O2.BrH/c1-4-6-7-8-9-10-11-12-13-16-21(3)17-14-20(15-18-21)19(22)23-5-2;/h4-18H2,1-3H3;1H/q+1;/p-1

InChIKey

LLDHTNJSNVBRKG-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1100mg/kg (1100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 347, 1957.