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Substance Name: Nicohexonium
RN: 4845-30-1
UNII: GV21SBM249
InChIKey: XQILZJGDWBRFIU-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H30-N2.2C6-H4-N-O2

Molecular Weight

  • 446.588
 
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Names and Synonyms

Name of Substance

  • Nicohexonium

Synonyms

  • Hexamethylenebis(trimethylammonium nicotinate)
  • Hexonate
  • Nicohexonium
  • UNII-GV21SBM249

Systematic Names

  • 1,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, di-3-pyridinecarboxylate (9CI)
  • Ammonium, hexamethylenebis(trimethyl-, dinicotinate

Registry Numbers

CAS Registry Number

  • 4845-30-1

FDA UNII

  • GV21SBM249

System Generated Number

  • 0004845301

Molecular Formulas

Molecular Formula

  • C12-H30-N2.2C6-H4-N-O2

Molecular Formula Fragments

  • C12-H30-N2
  • C6-H4-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H30N2.2C6H5NO2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*8-6(9)5-2-1-3-7-4-5/h7-12H2,1-6H3;2*1-4H,(H,8,9)/q+2;;/p-2

InChIKey

XQILZJGDWBRFIU-UHFFFAOYSA-L

Smiles

C(CCCCC[N+](C)(C)C)[N+](C)(C)C.c1c(cccn1)C(=O)[O-].c1c(cccn1)C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 147mg/kg (147mg/kg)   Farmakologiya i Toksikologiya Vol. 24, Pg. 3, 1961.