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Substance Name: Benzenemethanaminium, N,N-diethyl-N-(2-(2,6-dimethyl-4-(1-oxo-3,3-diphenylpropyl)phenoxy)ethyl)-, chloride
RN: 68714-47-6
InChIKey: SALRTRQKAGIYCC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H42-N-O2.Cl

Molecular Weight

  • 556.1858
 
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Names and Synonyms

  • Benzenemethanaminium, N,N-diethyl-N-(2-(2,6-dimethyl-4-(1-oxo-3,3-diphenylpropyl)phenoxy)ethyl)-, chloride

Registry Numbers

CAS Registry Number

  • 68714-47-6

System Generated Number

  • 0068714476

Molecular Formulas

Molecular Formula

  • C36-H42-N-O2.Cl

Molecular Formula Fragments

  • C36-H42-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C36H42NO2.ClH/c1-5-37(6-2,27-30-16-10-7-11-17-30)22-23-39-36-28(3)24-33(25-29(36)4)35(38)26-34(31-18-12-8-13-19-31)32-20-14-9-15-21-32;/h7-21,24-25,34H,5-6,22-23,26-27H2,1-4H3;1H/q+1;/p-1

InChIKey

SALRTRQKAGIYCC-UHFFFAOYSA-M

Smiles

CC[N+](CC)(CCOc1c(cc(cc1C)C(=O)CC(c2ccccc2)c3ccccc3)C)Cc4ccccc4.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   United States Patent Document. Vol. #4140770,
mouse LD50 oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4140770,