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Substance Name: Choline, dibutyl-, iodide
RN: 17896-02-5
InChIKey: OBLPYMYMWAFWEK-UHFFFAOYSA-M

Molecular Formula

  • C11-H26-N-O.I

Molecular Weight

  • 315.232
 
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Names and Synonyms

Synonyms

  • 1-Butanaminium, N-butyl-N-(2-hydroxyethyl)-N-methyl-, iodide
  • Ammonium, dibutyl(2-hydroxyethyl)methyl-, iodide
  • Dibutylcholine iodide

Systematic Name

  • Choline, dibutyl-, iodide

Registry Numbers

CAS Registry Number

  • 17896-02-5

System Generated Number

  • 0017896025

Molecular Formulas

Molecular Formula

  • C11-H26-N-O.I

Molecular Formula Fragments

  • C11-H26-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C11H26NO.HI/c1-4-6-8-12(3,10-11-13)9-7-5-2;/h13H,4-11H2,1-3H3;1H/q+1;/p-1

InChIKey

OBLPYMYMWAFWEK-UHFFFAOYSA-M

Smiles

C(CCC)[N+](C)(CCO)CCCC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 89mg/kg (89mg/kg)   Toxicology and Applied Pharmacology. Vol. 12, Pg. 486, 1968.
rat LD50 oral 7880mg/kg (7880mg/kg)   Toxicology and Applied Pharmacology. Vol. 12, Pg. 486, 1968.