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Substance Name: Methylxylocholine
RN: 363-42-8
InChIKey: SVXVIKZOYQPPAH-UHFFFAOYSA-M

Molecular Formula

  • C14-H24-N-O.Cl.H2-O

Molecular Weight

  • 275.817
 
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Names and Synonyms

Name of Substance

  • Methylxylocholine

Synonyms

  • beta-Methylxylocholine
  • beta-TM 10 chloride
  • beta-TM10
  • Compound 6890
  • CTM 10
  • SKF 6890
  • Trimethyl(2-(2,6-dimethylphenoxy)propyl)ammonium chloride monohydrate

Systematic Names

  • 1-Propanaminium, 2-(2,6-dimethylphenoxy)-N,N,N-trimethyl-, chloride, hydrate (9CI)
  • Ammonium, (2-(2,6-dimethylphenoxy)propyl)trimethyl-, chloride, monohydrate

Registry Numbers

CAS Registry Number

  • 363-42-8

System Generated Number

  • 0000363428

Molecular Formulas

Molecular Formula

  • C14-H24-N-O.Cl.H2-O

Molecular Formula Fragments

  • C14-H24-N-O
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H24NO.ClH.H2O/c1-11-8-7-9-12(2)14(11)16-13(3)10-15(4,5)6;;/h7-9,13H,10H2,1-6H3;1H;1H2/q+1;;/p-1

InChIKey

SVXVIKZOYQPPAH-UHFFFAOYSA-M

Smiles

c1(c(cccc1C)C)O[C@@H](C[N+](C)(C)C)C.[ClH-].O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6620ug/kg (6.62mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 129, Pg. 17, 1960.
mouse LDLo oral 1400mg/kg (1400mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 129, Pg. 17, 1960.