Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Choline, chloride, nicotinate
RN: 5099-51-4
InChIKey: ROUGXYODCZOUET-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N2-O2.Cl

Molecular Weight

  • 244.72
 
* 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

Synonyms

  • Nicotinic acid, ester with choline chloride
  • Nikotynianu chlorku choliny
  • Nikotynianu chlorku choliny [Polish]
  • Pyridine-3-carboxylic acid ester with choline chloride

Systematic Names

  • Choline, chloride, nicotinate
  • Ethanaminium, 2-((3-pyridinylcarbonyl)oxy)-N,N,N-trimethyl-, chloride (9CI)

Registry Numbers

CAS Registry Number

  • 5099-51-4

System Generated Number

  • 0005099514

Molecular Formulas

Molecular Formula

  • C11-H17-N2-O2.Cl

Molecular Formula Fragments

  • C11-H17-N2-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C11H17N2O2.ClH/c1-13(2,3)7-8-15-11(14)10-5-4-6-12-9-10;/h4-6,9H,7-8H2,1-3H3;1H/q+1;/p-1

InChIKey

ROUGXYODCZOUET-UHFFFAOYSA-M

Smiles

C(COC(=O)c1cnccc1)[N+](C)(C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 955mg/kg (955mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 25, Pg. 447, 1973.
mouse LD50 intravenous 58mg/kg (58mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Archives Internationales de Pharmacodynamie et de Therapie. Vol. 176, Pg. 443, 1968.