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Substance Name: Piperidinium, 1-(1,3-dithiol-2-ylidene)-4-(ethoxycarbonyl)-, perchlorate
RN: 104793-92-2
InChIKey: HNTJBDFPUIPYNA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N-O2-S2.Cl-O4

Molecular Weight

  • 357.8334
 
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Names and Synonyms

Synonym

  • 1-(1,3-Dithiol-2-ylidene)-4-(ethoxycarbonyl)piperidinium perchlorate

Systematic Name

  • Piperidinium, 1-(1,3-dithiol-2-ylidene)-4-(ethoxycarbonyl)-, perchlorate

Registry Numbers

CAS Registry Number

  • 104793-92-2

System Generated Number

  • 0104793922

Molecular Formulas

Molecular Formula

  • C11-H16-N-O2-S2.Cl-O4

Molecular Formula Fragments

  • C11-H16-N-O2-S2
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H16NO2S2.ClHO4/c1-2-14-10(13)9-3-5-12(6-4-9)11-15-7-8-16-11;2-1(3,4)5/h7-9H,2-6H2,1H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

HNTJBDFPUIPYNA-UHFFFAOYSA-M

Smiles

CCOC(=O)C1CC[N+](=c2sccs2)CC1.[O-]Cl(=O)(=O)=O

Toxicity

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