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Substance Name: Ammonium, diethylmethyl(3-hydroxypropyl)-, iodide, ester with epsilon-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
RN: 10257-69-9
InChIKey: NPUFOZYESDSVDN-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H52-N2-O4.2I

Molecular Weight

  • 806.595
 
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Names and Synonyms

  • Ammonium, diethylmethyl(3-hydroxypropyl)-, iodide, ester with epsilon-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)

Registry Numbers

CAS Registry Number

  • 10257-69-9

System Generated Number

  • 0010257699

Molecular Formulas

Molecular Formula

  • C34-H52-N2-O4.2I

Molecular Formula Fragments

  • C34-H52-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C34H52N2O4.2HI/c1-7-35(5,8-2)23-17-25-39-33(37)31-29(27-19-13-11-14-20-27)32(30(31)28-21-15-12-16-22-28)34(38)40-26-18-24-36(6,9-3)10-4;;/h11-16,19-22,29-32H,7-10,17-18,23-26H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

NPUFOZYESDSVDN-UHFFFAOYSA-L

Smiles

[IH-].C(CCOC(=O)C1C(C(C1c1ccccc1)C(=O)OCCC[N+](CC)(CC)C)c1ccccc1)[N+](CC)(CC)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1800ug/kg (1.8mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 53, 1966.