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Substance Name: Ammonium, (1-((2-benzylphenoxy)methyl)ethyl)trimethyl-, toluenesulfonate
RN: 7347-92-4
InChIKey: XKPNOJBZASNNKA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H26-N-O.C7-H7-O3-S

Molecular Weight

  • 455.616
 
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Names and Synonyms

Synonym

  • (1-((2-Benzylphenoxy)methyl)ethyl)trimethylammonium toluenesulfonate

Systematic Name

  • Ammonium, (1-((2-benzylphenoxy)methyl)ethyl)trimethyl-, toluenesulfonate

Registry Numbers

CAS Registry Number

  • 7347-92-4

System Generated Number

  • 0007347924

Molecular Formulas

Molecular Formula

  • C19-H26-N-O.C7-H7-O3-S

Molecular Formula Fragments

  • C19-H26-N-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H26NO.C7H8O3S/c1-16(20(2,3)4)15-21-19-13-9-8-12-18(19)14-17-10-6-5-7-11-17;1-6-2-4-7(5-3-6)11(8,9)10/h5-13,16H,14-15H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

XKPNOJBZASNNKA-UHFFFAOYSA-M

Smiles

c1(c(OC[C@@H]([N+](C)(C)C)C)cccc1)Cc1ccccc1.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 37mg/kg (37mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.