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Substance Name: Isoquinolinium, 1-(carbonylmethyl)-2-methyl-, iodide, dimethyl mercaptal
RN: 104664-38-2
InChIKey: HJPONRYBZRNYCV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N-S2.I

Molecular Weight

  • 389.319
 
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Names and Synonyms

Synonyms

  • 2-Methyl-1-(2,2-bis(methylthio)vinyl)isoquinolinium iodide
  • Isoquinolinium, 1-(2,2-bis(methylthio)ethenyl)-2-methyl-, iodide

Systematic Name

  • Isoquinolinium, 1-(carbonylmethyl)-2-methyl-, iodide, dimethyl mercaptal

Registry Numbers

CAS Registry Number

  • 104664-38-2

System Generated Number

  • 0104664382

Molecular Formulas

Molecular Formula

  • C14-H16-N-S2.I

Molecular Formula Fragments

  • C14-H16-N-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C14H16NS2.HI/c1-15-9-8-11-6-4-5-7-12(11)13(15)10-14(16-2)17-3;/h4-10H,1-3H3;1H/q+1;/p-1

InChIKey

HJPONRYBZRNYCV-UHFFFAOYSA-M

Smiles

c12c(\C=C(/SC)SC)[n+](ccc1cccc2)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15mg/kg (15mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 57, 1987.