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Substance Name: Ammonium, diethyl(3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)methyl-, toluenesulfonate, hydrate (4:7)
RN: 66902-94-1
InChIKey: RCMBKFAGERBIKG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H34-N-O2.C7-H7-O3-S.7/4H2-O

Molecular Weight

  • 575.766
 
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Names and Synonyms

  • Ammonium, diethyl(3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)methyl-, toluenesulfonate, hydrate (4:7)

Registry Numbers

CAS Registry Number

  • 66902-94-1

System Generated Number

  • 0066902941

Molecular Formulas

Molecular Formula

  • C27-H34-N-O2.C7-H7-O3-S.7/4H2-O

Molecular Formula Fragments

  • C27-H34-N-O2
  • C7-H7-O3-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H34NO2.C7H8O3S/c1-4-28(3,5-2)21-14-22-30-26-20-13-12-19-25(26)27(29,23-15-8-6-9-16-23)24-17-10-7-11-18-24;1-6-2-4-7(5-3-6)11(8,9)10/h6-13,15-20,29H,4-5,14,21-22H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

RCMBKFAGERBIKG-UHFFFAOYSA-M

Smiles

C(c1c(cccc1)OCCC[N+](CC)(CC)C)(c1ccccc1)(c1ccccc1)O.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.