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Substance Name: Piperidinium, 1-(5-hydroxypentyl)-1-methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
RN: 10084-49-8
InChIKey: UHZHGVAGZHCWIX-ZWJWALSFSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H60-N2-O4.2I

Molecular Weight

  • 886.724
 
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Names and Synonyms

  • Piperidinium, 1-(5-hydroxypentyl)-1-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

  • 10084-49-8

System Generated Number

  • 0010084498

Molecular Formulas

Molecular Formula

  • C40-H60-N2-O4.2I

Molecular Formula Fragments

  • C40-H60-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C40H60N2O4.2HI/c1-41(25-13-5-14-26-41)29-17-7-19-31-45-39(43)37-35(33-21-9-3-10-22-33)38(36(37)34-23-11-4-12-24-34)40(44)46-32-20-8-18-30-42(2)27-15-6-16-28-42;;/h3-4,9-12,21-24,35-38H,5-8,13-20,25-32H2,1-2H3;2*1H/q+2;;/p-2/t35-,36-,37-,38-;;

InChIKey

UHZHGVAGZHCWIX-ZWJWALSFSA-L

Smiles

[IH-].[N+]1(CCCCC1)(CCCCCOC(=O)[C@@H]1[C@H]([C@H](C(OCCCCC[N+]2(CCCCC2)C)=O)[C@@H]1c1ccccc1)c1ccccc1)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 427ug/kg (0.427mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 53, 1966.