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Substance Name: Quinolinium, 2-(2-(4-(3-hydroxypropyl)-1-piperazinyl)-2-(methylthio)ethenyl)-1-methyl-, iodide
RN: 104664-37-1
InChIKey: FALJYYXUEPTHPI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N3-O-S.I

Molecular Weight

  • 485.4272
 
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Names and Synonyms

Synonym

  • 2-(2-(4-(3-Hydroxypropyl)-1-piperazinyl)-2-(methylthio)ethenyl)-1-methylquinolinium iodide

Systematic Name

  • Quinolinium, 2-(2-(4-(3-hydroxypropyl)-1-piperazinyl)-2-(methylthio)ethenyl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 104664-37-1

System Generated Number

  • 0104664371

Molecular Formulas

Molecular Formula

  • C20-H28-N3-O-S.I

Molecular Formula Fragments

  • C20-H28-N3-O-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C20H28N3OS.HI/c1-21-18(9-8-17-6-3-4-7-19(17)21)16-20(25-2)23-13-11-22(12-14-23)10-5-15-24;/h3-4,6-9,16,24H,5,10-15H2,1-2H3;1H/q+1;/p-1

InChIKey

FALJYYXUEPTHPI-UHFFFAOYSA-M

Smiles

C[n+]1c(ccc2c1cccc2)/C=C(\N3CCN(CC3)CCCO)/SC.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 57, 1987.