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Substance Name: Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester
RN: 109648-85-3
InChIKey: WJAMPTQBGNHERD-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-dodecyl-1-methylpiperazinium bromide methyl ester

Systematic Name

  • Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester

Registry Numbers

CAS Registry Number

  • 109648-85-3

System Generated Number

  • 0109648853

Molecular Formulas

Molecular Formula

  • C19-H39-N2-O2.Br

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

WJAMPTQBGNHERD-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCC[N+]1(CCN(CC1)C(=O)OC)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1750mg/kg (1750mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 347, 1957.