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Substance Name: Ammonium, diethyl(2-(4-(2-dodecyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide
RN: 26095-62-5
InChIKey: KHCMEWLSQWEMBG-UHFFFAOYSA-N

Molecular Formula

  • C33-H51-N2-O4.I

Molecular Weight

  • 666.676
 
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Names and Synonyms

Synonym

  • Diethylmethyl(2-(4-(2-dodecyloxybenzamido)benzoyloxy)ethyl)ammonium iodide

Systematic Name

  • Ammonium, diethyl(2-(4-(2-dodecyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide

Registry Numbers

CAS Registry Number

  • 26095-62-5

System Generated Number

  • 0026095625

Molecular Formulas

Molecular Formula

  • C33-H51-N2-O4.I

Molecular Formula Fragments

  • C33-H51-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C33H50N2O4.HI/c1-5-8-9-10-11-12-13-14-15-18-26-38-31-20-17-16-19-30(31)32(36)34-29-23-21-28(22-24-29)33(37)39-27-25-35(4,6-2)7-3;/h16-17,19-24H,5-15,18,25-27H2,1-4H3;1H

InChIKey

KHCMEWLSQWEMBG-UHFFFAOYSA-N

Smiles

C(c1c(OCCCCCCCCCCCC)cccc1)(Nc1ccc(C(=O)OCC[N+](CC)(CC)C)cc1)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 151mg/kg (151mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.