Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Quinolinium, 2-(2-((formylmethyl)amino)-2-(methylthio)vinyl)-1-methyl-, iodide, dimethyl acetal
RN: 104664-36-0
InChIKey: FUMRHGCMNLYRLL-KRWCAOSLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N2-O2-S.I

Molecular Weight

  • 464.3615
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-(2-((Formylmethyl)amino)-2-(methylthio)vinyl)-1-methylquinolinium iodide dimethyl acetal
  • Quinolinium, 2-(2-((2,2-dimethoxyethyl)amino)-2-(methylthio)vinyl)-1-methyl-, iodide
  • RTECS VR6244000

Systematic Name

  • Quinolinium, 2-(2-((formylmethyl)amino)-2-(methylthio)vinyl)-1-methyl-, iodide, dimethyl acetal

Registry Numbers

CAS Registry Number

  • 104664-36-0

System Generated Number

  • 0104664360

Molecular Formulas

Molecular Formula

  • C17-H23-N2-O2-S.I

Molecular Formula Fragments

  • C17-H23-N2-O2-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H24N2O3S.HI/c1-12-16(21)13(11-15(23-4)18-9-10-20)19(3,22)14-7-5-6-8-17(12,14)2;/h5-8,10-12,14,18,22H,9H2,1-4H3;1H/b15-11+;

InChIKey

FUMRHGCMNLYRLL-KRWCAOSLSA-N

Smiles

CC1C(=C([N+](C2C1(C=CC=C2)C)(C)O)/C=C(\NCC=O)/SC)O.[I-]

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.