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Substance Name: Pyridinium, 2-(carbonylmethyl)-1-methyl-, iodide, dibutyl mercaptal
RN: 104664-41-7
InChIKey: LULWVVOBKNZYPQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-N-S2.I

Molecular Weight

  • 437.4036
 
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Names and Synonyms

Synonyms

  • 2-(Carbonylmethyl)-1-methylpyridinium iodide dibutyl mercaptal
  • Pyridinium, 2-(2,2-bis(butylthio)ethenyl)-1-methyl-, iodide

Systematic Name

  • Pyridinium, 2-(carbonylmethyl)-1-methyl-, iodide, dibutyl mercaptal

Registry Numbers

CAS Registry Number

  • 104664-41-7

System Generated Number

  • 0104664417

Molecular Formulas

Molecular Formula

  • C16-H26-N-S2.I

Molecular Formula Fragments

  • C16-H26-N-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H23NOS2.HI/c1-4-6-8-12-13(9-7-5-2)17(3)14(10-11-18)16(20)15(12)19;/h10,20H,4-9H2,1-3H3;1H

InChIKey

LULWVVOBKNZYPQ-UHFFFAOYSA-N

Smiles

CCCCc1c([n+](c(c(c1S)S)C=C=O)C)CCCC.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 57, 1987.