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Substance Name: Ammonium, diethyl(4-hydroxybutyl)methyl-, iodide, ester with (cis-1,2,cis-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
RN: 10066-69-0
InChIKey: RTVGPORNXYHAKU-FNPXCFTPSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H56-N2-O4.2I

Molecular Weight

  • 834.648
 
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Names and Synonyms

Synonym

  • RTECS BP5544000

Systematic Name

  • Ammonium, diethyl(4-hydroxybutyl)methyl-, iodide, ester with (cis-1,2,cis-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)

Registry Numbers

CAS Registry Number

  • 10066-69-0

System Generated Number

  • 0010066690

Molecular Formulas

Molecular Formula

  • C36-H56-N2-O4.2I

Molecular Formula Fragments

  • C36-H56-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C36H56N2O4.2HI/c1-7-37(5,8-2)25-17-19-27-41-35(39)33-31(29-21-13-11-14-22-29)34(32(33)30-23-15-12-16-24-30)36(40)42-28-20-18-26-38(6,9-3)10-4;;/h11-16,21-24,31-34H,7-10,17-20,25-28H2,1-6H3;2*1H/q+2;;/p-2/t31-,32-,33-,34+;;

InChIKey

RTVGPORNXYHAKU-FNPXCFTPSA-L

Smiles

c1([C@H]2[C@@H]([C@@H](c3ccccc3)[C@@H]2C(OCCCC[N+](CC)(CC)C)=O)C(OCCCC[N+](CC)(CC)C)=O)ccccc1.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1040ug/kg (1.04mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 53, 1966.