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Substance Name: Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,3-diphenyl-3-hydroxypropionate
RN: 57343-49-4
InChIKey: SRQHGAOKMTWARZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N-O3.I

Molecular Weight

  • 483.383
 
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Names and Synonyms

Synonym

  • DPE-methyl iodide

Systematic Name

  • Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,3-diphenyl-3-hydroxypropionate

Registry Numbers

CAS Registry Number

  • 57343-49-4

System Generated Number

  • 0057343494

Molecular Formulas

Molecular Formula

  • C22-H30-N-O3.I

Molecular Formula Fragments

  • C22-H30-N-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C22H30NO3.HI/c1-4-23(3,5-2)16-17-26-21(24)18-22(25,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,25H,4-5,16-18H2,1-3H3;1H/q+1;/p-1

InChIKey

SRQHGAOKMTWARZ-UHFFFAOYSA-M

Smiles

C(c1ccccc1)(c1ccccc1)(CC(OCC[N+](CC)(CC)C)=O)O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12500ug/kg (12.5mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 95, Pg. 1022, 1975.