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Substance Name: Ammonium, diethyl(5-hydroxypentyl)methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
RN: 10066-76-9
InChIKey: HZJNHORPHINCHO-NPVZBUBESA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H60-N2-O4.2I

Molecular Weight

  • 862.702
 
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Names and Synonyms

  • Ammonium, diethyl(5-hydroxypentyl)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

  • 10066-76-9

System Generated Number

  • 0010066769

Molecular Formulas

Molecular Formula

  • C38-H60-N2-O4.2I

Molecular Formula Fragments

  • C38-H60-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C38H60N2O4.2HI/c1-7-39(5,8-2)27-19-13-21-29-43-37(41)35-33(31-23-15-11-16-24-31)36(34(35)32-25-17-12-18-26-32)38(42)44-30-22-14-20-28-40(6,9-3)10-4;;/h11-12,15-18,23-26,33-36H,7-10,13-14,19-22,27-30H2,1-6H3;2*1H/q+2;;/p-2/t33-,34-,35-,36-;;

InChIKey

HZJNHORPHINCHO-NPVZBUBESA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 430ug/kg (0.43mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 53, 1966.