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Substance Name: Morpholinium, 4-(4-hydroxybutyl)-4-methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
RN: 10101-04-9
InChIKey: CJRNZAJTDVQUPF-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H52-N2-O6.2I

Molecular Weight

  • 862.615
 
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Names and Synonyms

Synonym

  • 1,3-Cyclobutanedicarboxylic acid, 2,4-diphenyl-, diester with 1-(4-hydroxybutyl)-1-methylmorpholinium iodide

Systematic Name

  • Morpholinium, 4-(4-hydroxybutyl)-4-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

  • 10101-04-9

System Generated Number

  • 0010101049

Molecular Formulas

Molecular Formula

  • C36-H52-N2-O6.2I

Molecular Formula Fragments

  • C36-H52-N2-O6
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C36H52N2O6.2HI/c1-37(19-25-41-26-20-37)17-9-11-23-43-35(39)33-31(29-13-5-3-6-14-29)34(32(33)30-15-7-4-8-16-30)36(40)44-24-12-10-18-38(2)21-27-42-28-22-38;;/h3-8,13-16,31-34H,9-12,17-28H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

CJRNZAJTDVQUPF-UHFFFAOYSA-L

Smiles

[IH-].[N+]1(CCOCC1)(CCCCOC(=O)C1C(C(C1c1ccccc1)C(=O)OCCCC[N+]1(C)CCOCC1)c1ccccc1)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 480ug/kg (0.48mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 53, 1966.