Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
RN: 10084-45-4
InChIKey: LNNSNVXELWEVHW-QBUQCIECSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H48-N2-O4.2I

Molecular Weight

  • 802.563
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Piperidinium, 1-(2-hydroxyethyl)-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

  • 10084-45-4

System Generated Number

  • 0010084454

Molecular Formulas

Molecular Formula

  • C34-H48-N2-O4.2I

Molecular Formula Fragments

  • C34-H48-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C34H48N2O4.2HI/c1-35(19-11-5-12-20-35)23-25-39-33(37)31-29(27-15-7-3-8-16-27)32(30(31)28-17-9-4-10-18-28)34(38)40-26-24-36(2)21-13-6-14-22-36;;/h3-4,7-10,15-18,29-32H,5-6,11-14,19-26H2,1-2H3;2*1H/q+2;;/p-2/t29-,30-,31-,32-;;

InChIKey

LNNSNVXELWEVHW-QBUQCIECSA-L

Smiles

[N+]1(CCOC(=O)[C@@H]2[C@@H]([C@H]([C@H]2c2ccccc2)C(=O)OCC[N+]2(CCCCC2)C)c2ccccc2)(C)CCCCC1.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 920ug/kg (0.92mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 53, 1966.