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Substance Name: Ethanaminium, 2-N,N-diethyl-2-(2,6-dimethyl-4-(1-oxo-3,3-diphenylpropyl)phenoxy)-N-methyl-, methyl sulfate
RN: 65084-06-2
InChIKey: JNWDDNOVBLHWSE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H38-N-O2.C-H3-O4-S

Molecular Weight

  • 555.7319
 
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Names and Synonyms

Synonym

  • 4'-(2-(N,N-Diethyl-N-methylaminio)ethoxy)-3',5'-dimethyl-diphenylpropiophenone methosulfate

Systematic Name

  • Ethanaminium, 2-N,N-diethyl-2-(2,6-dimethyl-4-(1-oxo-3,3-diphenylpropyl)phenoxy)-N-methyl-, methyl sulfate

Registry Numbers

CAS Registry Number

  • 65084-06-2

System Generated Number

  • 0065084062

Molecular Formulas

Molecular Formula

  • C30-H38-N-O2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C30-H38-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C30H38NO2.CH4O4S/c1-6-31(5,7-2)18-19-33-30-23(3)20-27(21-24(30)4)29(32)22-28(25-14-10-8-11-15-25)26-16-12-9-13-17-26;1-5-6(2,3)4/h8-17,20-21,28H,6-7,18-19,22H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

JNWDDNOVBLHWSE-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 7930ug/kg (7.93mg/kg)   United States Patent Document. Vol. #4140770,
mouse LD50 oral 1285mg/kg (1285mg/kg)   United States Patent Document. Vol. #4140770,