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Substance Name: Choline, chloride, sebacate (2:1)
RN: 28492-70-8
InChIKey: LVTFLGQROHDLBK-UHFFFAOYSA-L

Molecular Formula

  • C20-H42-N2-O4.2Cl

Molecular Weight

  • 445.468
 
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Names and Synonyms

Synonyms

  • Ammonium, octamethylenebis(carbonyloxyethyl)bis(trimethyl-, dichloride
  • Bis-choline ester of sebacic acid
  • Sebacycholine dichloride

Systematic Names

  • Choline, chloride, sebacate (2:1)
  • Ethanaminium 2,2'-((1,10-dioxo-1,10-decanediyl)bis(oxy))bis(N,N,N-trimethyl-, dichloride (9CI)

Registry Numbers

CAS Registry Number

  • 28492-70-8

Related Registry Number

  • 7095-43-4 (Parent)

System Generated Number

  • 0028492708

Molecular Formulas

Molecular Formula

  • C20-H42-N2-O4.2Cl

Molecular Formula Fragments

  • C20-H42-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C20H42N2O4.2ClH/c1-21(2,3)15-17-25-19(23)13-11-9-7-8-10-12-14-20(24)26-18-16-22(4,5)6;;/h7-18H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

LVTFLGQROHDLBK-UHFFFAOYSA-L

Smiles

C(CCCCCCCCC(=O)OCC[N+](C)(C)C)(=O)OCC[N+](C)(C)C.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD90 intravenous 60mg/kg (60mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 616, 1957.