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Substance Name: 1-Propanaminium, 3-(2,6-dimethylphenoxy)-2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-, iodide
RN: 105996-40-5
InChIKey: CAMDNIPFRHEEIQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H28-N-O2.I

Molecular Weight

  • 393.3022
 
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Names and Synonyms

Synonym

  • 3-(2,6-Dimethylphenoxy)-2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-1-propanaminium iodide

Systematic Name

  • 1-Propanaminium, 3-(2,6-dimethylphenoxy)-2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-, iodide

Registry Numbers

CAS Registry Number

  • 105996-40-5

System Generated Number

  • 0105996405

Molecular Formulas

Molecular Formula

  • C16-H28-N-O2.I

Molecular Formula Fragments

  • C16-H28-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H28NO2.HI/c1-12(2)17(5,6)10-15(18)11-19-16-13(3)8-7-9-14(16)4;/h7-9,12,15,18H,10-11H2,1-6H3;1H/q+1;/p-1

InChIKey

CAMDNIPFRHEEIQ-UHFFFAOYSA-M

Smiles

Cc1cccc(c1OCC(C[N+](C)(C)C(C)C)O)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 86mg/kg (86mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 323, 1986.