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Substance Name: Ammonium, (1-((2-benzylphenoxy)methyl)ethyl)diethylmethyl-, iodide
RN: 7347-87-7
InChIKey: SXXBSHKEMPRZDI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N-O.I

Molecular Weight

  • 439.374
 
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Names and Synonyms

Synonym

  • (1-((2-Benzylphenoxy)methyl)ethyl)diethylmethylammonium iodide

Systematic Name

  • Ammonium, (1-((2-benzylphenoxy)methyl)ethyl)diethylmethyl-, iodide

Registry Numbers

CAS Registry Number

  • 7347-87-7

System Generated Number

  • 0007347877

Molecular Formulas

Molecular Formula

  • C21-H30-N-O.I

Molecular Formula Fragments

  • C21-H30-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H30NO.HI/c1-5-22(4,6-2)18(3)17-23-21-15-11-10-14-20(21)16-19-12-8-7-9-13-19;/h7-15,18H,5-6,16-17H2,1-4H3;1H/q+1;/p-1

InChIKey

SXXBSHKEMPRZDI-UHFFFAOYSA-M

Smiles

c1(c(OC[C@@H]([N+](CC)(CC)C)C)cccc1)Cc1ccccc1.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 52mg/kg (52mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.