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Substance Name: Ammonium, diethyl(7-hydroxyheptyl)methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
RN: 10066-77-0
InChIKey: HCWQOTFEISPQMI-KVABFSPMSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H68-N2-O4.2I

Molecular Weight

  • 918.809
 
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Names and Synonyms

  • Ammonium, diethyl(7-hydroxyheptyl)methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)

Registry Numbers

CAS Registry Number

  • 10066-77-0

System Generated Number

  • 0010066770

Molecular Formulas

Molecular Formula

  • C42-H68-N2-O4.2I

Molecular Formula Fragments

  • C42-H68-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C42H68N2O4.2HI/c1-7-43(5,8-2)31-23-13-11-15-25-33-47-41(45)39-37(35-27-19-17-20-28-35)40(38(39)36-29-21-18-22-30-36)42(46)48-34-26-16-12-14-24-32-44(6,9-3)10-4;;/h17-22,27-30,37-40H,7-16,23-26,31-34H2,1-6H3;2*1H/q+2;;/p-2/t37-,38-,39-,40-;;

InChIKey

HCWQOTFEISPQMI-KVABFSPMSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2600ug/kg (2.6mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 53, 1966.