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Substance Name: 1-(3-Indolyl(methylthio)methylene) pyrrolidinium iodide
RN: 54921-50-5
UNII: N4W8KE1723
InChIKey: IUBLTMLHKZCPDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N2-S.I

Molecular Weight

  • 372.2683
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • (Indolyl-3')-1 methylthio-1 pyrrolidiniminium-1 methane (iodure)
  • (Indolyl-3')-1 methylthio-1 pyrrolidiniminium-1 methane (iodure) [French]
  • UNII-N4W8KE1723

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54921-50-5

FDA UNII

  • N4W8KE1723

System Generated Number

  • 0054921505

Molecular Formulas

Molecular Formula

  • C14-H17-N2-S.I

Molecular Formula Fragments

  • C14-H17-N2-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C14H16N2S.HI/c1-17-14(16-8-4-5-9-16)12-10-15-13-7-3-2-6-11(12)13;/h2-3,6-7,10H,4-5,8-9H2,1H3;1H

InChIKey

IUBLTMLHKZCPDU-UHFFFAOYSA-N

Smiles

CSC(=[N+]1CCCC1)c2c[nH]c3c2cccc3.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 453, 1974.