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Substance Name: Piperidinium, 1-(1,3-dithiol-2-ylidene)-3-(ethoxycarbonyl)-, iodide
RN: 104794-14-1
InChIKey: MXFMTMMMOKYNTF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N-O2-S2.I

Molecular Weight

  • 385.2844
 
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Names and Synonyms

Synonym

  • 1-(1,3-Dithiol-2-ylidene)-3-(ethoxycarbonyl)piperidinium iodide

Systematic Name

  • Piperidinium, 1-(1,3-dithiol-2-ylidene)-3-(ethoxycarbonyl)-, iodide

Registry Numbers

CAS Registry Number

  • 104794-14-1

System Generated Number

  • 0104794141

Molecular Formulas

Molecular Formula

  • C11-H16-N-O2-S2.I

Molecular Formula Fragments

  • C11-H16-N-O2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C11H16NO2S2.HI/c1-2-14-10(13)9-4-3-5-12(8-9)11-15-6-7-16-11;/h6-7,9H,2-5,8H2,1H3;1H/q+1;/p-1

InChIKey

MXFMTMMMOKYNTF-UHFFFAOYSA-M

Smiles

CCOC(=O)C1CCC[N+](=c2sccs2)C1.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   United States Patent Document. Vol. #4737494,