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Substance Name: Benzenepropanaminium, 3,4-dimethoxy-gamma-oxo-N,N,N-trimethyl-, iodide
RN: 127119-33-9
InChIKey: FEPDASGWUZBKDM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N-O3.I

Molecular Weight

  • 379.2318
 
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Names and Synonyms

Synonym

  • 3,4-Dimethoxy-gamma-oxo-N,N,N-trimethylbenzenepropanaminium iodide

Systematic Name

  • Benzenepropanaminium, 3,4-dimethoxy-gamma-oxo-N,N,N-trimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 127119-33-9

System Generated Number

  • 0127119339

Molecular Formulas

Molecular Formula

  • C14-H22-N-O3.I

Molecular Formula Fragments

  • C14-H22-N-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C14H22NO3.HI/c1-15(2,3)9-8-12(16)11-6-7-13(17-4)14(10-11)18-5;/h6-7,10H,8-9H2,1-5H3;1H/q+1;/p-1

InChIKey

FEPDASGWUZBKDM-UHFFFAOYSA-M

Smiles

C[N+](C)(C)CCC(=O)c1ccc(c(c1)OC)OC.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 168mg/kg (168mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 990, 1989.