Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-3-(2-(2-propenyl)phenoxy)-, iodide
RN: 105996-45-0
InChIKey: DENQJOQEDGNSQU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N-O2.I

Molecular Weight

  • 405.3132
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 2-Hydroxy-N,N-dimethyl-N-(1-methylethyl)-3-(2-(2-propenyl)phenoxy)-1-propanaminium iodide

Systematic Name

  • 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-3-(2-(2-propenyl)phenoxy)-, iodide

Registry Numbers

CAS Registry Number

  • 105996-45-0

System Generated Number

  • 0105996450

Molecular Formulas

Molecular Formula

  • C17-H28-N-O2.I

Molecular Formula Fragments

  • C17-H28-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H28NO2.HI/c1-6-9-15-10-7-8-11-17(15)20-13-16(19)12-18(4,5)14(2)3;/h6-8,10-11,14,16,19H,1,9,12-13H2,2-5H3;1H/q+1;/p-1

InChIKey

DENQJOQEDGNSQU-UHFFFAOYSA-M

Smiles

CC(C)[N+](C)(C)CC(COc1ccccc1CC=C)O.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 87mg/kg (87mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 323, 1986.