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Substance Name: Piperazinium, 4-carboxy-1-methyl-1-(3-phenylpropyl)-, bromide, ethyl ester
RN: 109820-89-5
InChIKey: XNITYANFRWDLIG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N2-O2.Br

Molecular Weight

  • 371.3163
 
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Names and Synonyms

Synonym

  • 4-Carboxy-1-methyl-1-(3-phenylpropyl)piperazinium bromide ethyl ester

Systematic Name

  • Piperazinium, 4-carboxy-1-methyl-1-(3-phenylpropyl)-, bromide, ethyl ester

Registry Numbers

CAS Registry Number

  • 109820-89-5

System Generated Number

  • 0109820895

Molecular Formulas

Molecular Formula

  • C17-H27-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C17-H27-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27N2O2.BrH/c1-3-21-17(20)18-11-14-19(2,15-12-18)13-7-10-16-8-5-4-6-9-16;/h4-6,8-9H,3,7,10-15H2,1-2H3;1H/q+1;/p-1

InChIKey

XNITYANFRWDLIG-UHFFFAOYSA-M

Smiles

CCOC(=O)N1CC[N+](CC1)(C)CCCc2ccccc2.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6100mg/kg (6100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 347, 1957.