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Substance Name: 1-(3-Indolyl(methylthio)methylene)piperidinium iodide
RN: 54921-49-2
UNII: KCD96SWC6U
InChIKey: OMFIBMTXPDPQIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N2-S.I

Molecular Weight

  • 386.2951
 
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Names and Synonyms

Name of Substance

  • 1-(3-Indolyl(methylthio)methylene)piperidinium iodide

Synonyms

  • (Indolyl-3')-1 methylthio piperidiniminium-1 methane (iodure)
  • (Indolyl-3')-1 methylthio piperidiniminium-1 methane (iodure) [French]
  • UNII-KCD96SWC6U

Systematic Name

  • Piperidinium, 1-(3-indolyl(methylthio)methylene)-, iodide

Registry Numbers

CAS Registry Number

  • 54921-49-2

FDA UNII

  • KCD96SWC6U

System Generated Number

  • 0054921492

Molecular Formulas

Molecular Formula

  • C15-H19-N2-S.I

Molecular Formula Fragments

  • C15-H19-N2-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C15H18N2S.HI/c1-18-15(17-9-5-2-6-10-17)13-11-16-14-8-4-3-7-12(13)14;/h3-4,7-8,11H,2,5-6,9-10H2,1H3;1H

InChIKey

OMFIBMTXPDPQIC-UHFFFAOYSA-N

Smiles

CSC(=[N+]1CCCCC1)c2c[nH]c3c2cccc3.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg) BEHAVIORAL: TREMOR European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 453, 1974.