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Substance Name: Piperazinium, 4-carboxy-1-ethyl-1-octyl-, iodide, ethyl ester
RN: 110029-79-3
InChIKey: VYXUPCYIFUCURS-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H35-N2-O2.I

Molecular Weight

  • 426.3755
 
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Names and Synonyms

Synonym

  • 4-Carboxy-1-ethyl-1-octylpiperazinium iodide ethyl ester

Systematic Name

  • Piperazinium, 4-carboxy-1-ethyl-1-octyl-, iodide, ethyl ester

Registry Numbers

CAS Registry Number

  • 110029-79-3

System Generated Number

  • 0110029793

Molecular Formulas

Molecular Formula

  • C17-H35-N2-O2.I

Molecular Formula Fragments

  • C17-H35-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H35N2O2.HI/c1-4-7-8-9-10-11-14-19(5-2)15-12-18(13-16-19)17(20)21-6-3;/h4-16H2,1-3H3;1H/q+1;/p-1

InChIKey

VYXUPCYIFUCURS-UHFFFAOYSA-M

Smiles

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

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.