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Substance Name: Thiazolium, 4,5-dihydro-3-methyl-2-(3-methylphenyl)-, iodide
RN: 96160-06-4
InChIKey: KFPPZDKCVBYYKU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-N-S.I

Molecular Weight

  • 319.2046
 
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Names and Synonyms

Synonym

  • 4,5-Dihydro-3-methyl-2-(3-methylphenyl)thiazolium iodide

Systematic Name

  • Thiazolium, 4,5-dihydro-3-methyl-2-(3-methylphenyl)-, iodide

Registry Numbers

CAS Registry Number

  • 96160-06-4

System Generated Number

  • 0096160064

Molecular Formulas

Molecular Formula

  • C11-H14-N-S.I

Molecular Formula Fragments

  • C11-H14-N-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C11H14NS.HI/c1-9-4-3-5-10(8-9)11-12(2)6-7-13-11;/h3-5,8H,6-7H2,1-2H3;1H/q+1;/p-1

InChIKey

KFPPZDKCVBYYKU-UHFFFAOYSA-M

Smiles

S1C(=[N+](CC1)C)c1cc(ccc1)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 16, 1985.