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Substance Name: Choline iodide, diester with truxillic acid
RN: 10066-71-4
InChIKey: XUWIYVGBSHCKBR-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H40-N2-O4.2I

Molecular Weight

  • 722.434
 
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Names and Synonyms

Results Name

  • Choline iodide, diester with truxillic acid

Synonym

  • Choline iodide, diester with truxillic acid

Systematic Name

  • Choline 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

  • 10066-71-4

System Generated Number

  • 0010066714

Molecular Formulas

Molecular Formula

  • C28-H40-N2-O4.2I

Molecular Formula Fragments

  • C28-H40-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C28H40N2O4.2HI/c1-29(2,3)17-19-33-27(31)25-23(21-13-9-7-10-14-21)26(24(25)22-15-11-8-12-16-22)28(32)34-20-18-30(4,5)6;;/h7-16,23-26H,17-20H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

XUWIYVGBSHCKBR-UHFFFAOYSA-L

Smiles

C1(C(OCC[N+](C)(C)C)=O)C(C(C1c1ccccc1)C(OCC[N+](C)(C)C)=O)c1ccccc1.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4900ug/kg (4.9mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 53, 1966.