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Substance Name: Ammonium, dimethyloctadecyl(5-hydroxy-4-oxo-2-pyranylmethyl)-, iodide
RN: 73664-11-6
InChIKey: FXTFXXHAXFOISH-UHFFFAOYSA-N

Molecular Formula

  • C26-H48-N-O3.I

Molecular Weight

  • 549.569
 
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Names and Synonyms

Synonyms

  • Dimethyloctadecyl(5-hydroxy-4-oxo-2-pyranylmethyl)ammonium iodide
  • Dimethyloctadecylkojylammonium iodide
  • NSC 221259

Systematic Names

  • 4H-Pyran-2-methanaminium, 5-hydroxy-N,N-dimethyl-N-octadecyl-4-oxo-, iodide (9CI)
  • Ammonium, dimethyloctadecyl(5-hydroxy-4-oxo-2-pyranylmethyl)-, iodide

Registry Numbers

CAS Registry Number

  • 73664-11-6

System Generated Number

  • 0073664116

Molecular Formulas

Molecular Formula

  • C26-H48-N-O3.I

Molecular Formula Fragments

  • C26-H48-N-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C26H47NO3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(2,3)22-24-21-25(28)26(29)23-30-24;/h21,23H,4-20,22H2,1-3H3;1H

InChIKey

FXTFXXHAXFOISH-UHFFFAOYSA-N

Smiles

c1(cc(c(O)co1)=O)C[N+](CCCCCCCCCCCCCCCCCC)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02972,