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Substance Name: Ammonium, diethyl(2-(4-(2-decyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide
RN: 26095-61-4
InChIKey: LMWYKZWPFDTSBB-UHFFFAOYSA-N

Molecular Formula

  • C31-H47-N2-O4.I

Molecular Weight

  • 638.622
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 26095-61-4

System Generated Number

  • 0026095614

Molecular Formulas

Molecular Formula

  • C31-H47-N2-O4.I

Molecular Formula Fragments

  • C31-H47-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C31H46N2O4.HI/c1-5-8-9-10-11-12-13-16-24-36-29-18-15-14-17-28(29)30(34)32-27-21-19-26(20-22-27)31(35)37-25-23-33(4,6-2)7-3;/h14-15,17-22H,5-13,16,23-25H2,1-4H3;1H

InChIKey

LMWYKZWPFDTSBB-UHFFFAOYSA-N

Smiles

C(c1c(OCCCCCCCCCC)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 97mg/kg (97mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.