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Substance Name: Quinolinium, 2-(carbonylmethyl)-6-methoxy-1-methyl-, iodide, dimethyl mercaptal
RN: 74020-11-4
InChIKey: WKTALZJRAHUNLU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N-O-S2.I

Molecular Weight

  • 437.36
 
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Names and Synonyms

Synonyms

  • 2-(Carbonylmethyl)-6-methoxy-1-methylquinolinium iodide dimethyl mercaptal
  • Quinolinium, 2-(2,2-bis(methylthio)ethenyl)-6-methoxy-1-methyl-, iodide

Systematic Name

  • Quinolinium, 2-(carbonylmethyl)-6-methoxy-1-methyl-, iodide, dimethyl mercaptal

Registry Numbers

CAS Registry Number

  • 74020-11-4

System Generated Number

  • 0074020114

Molecular Formulas

Molecular Formula

  • C15-H18-N-O-S2.I

Molecular Formula Fragments

  • C15-H18-N-O-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C15H19NO2S2.HI/c1-10-14(19)12(7-8-17)16(3,20)13-6-5-11(18-4)9-15(10,13)2;/h5-7,9-10,13,20H,1-4H3;1H

InChIKey

WKTALZJRAHUNLU-UHFFFAOYSA-N

Smiles

C=1([N@@+]([C@@H]2C=CC(=C[C@@]2([C@@H](C1S)C)C)OC)(C)S)C=C=O.[IH-]

Toxicity

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