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Substance Name: Choline
RN: 62-49-7
UNII: N91BDP6H0X
InChIKey: OEYIOHPDSNJKLS-UHFFFAOYSA-N

Note

  • A basic constituent of lecithin that is found in many plants and animal organs. It is important as a precursor of acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism.

Molecular Formula

  • C5-H14-N-O

Molecular Weight

  • 104.1716
 

Classification Codes

  • Antimetabolites
  • Central Nervous System Agents
  • Gastrointestinal Agents
  • Hypolipidemic Agents
  • Lipid Regulating Agents
  • Lipotropic Agents
  • Nootropic Agents
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Names and Synonyms

Name of Substance

  • Choline

MeSH Heading

  • Choline

Synonyms

  • (2-Hydroxyethyl)trimethylammonium
  • 2-Hydroxy-N,N,N-trimethylethanaminium
  • 3-04-00-00651 (Beilstein Handbook Reference)
  • AI3-24208
  • Bilineurine
  • BRN 1736748
  • CCRIS 5847
  • Choline
  • Choline cation
  • Choline ion
  • Cholinum
  • EINECS 200-535-1
  • UNII-N91BDP6H0X

Systematic Names

  • Choline
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-

Registry Numbers

CAS Registry Number

  • 62-49-7

FDA UNII

  • N91BDP6H0X

Other Registry Numbers

  • 139741-81-4
  • 2087491-45-8

Related Registry Number

  • 67-48-1 (chloride)

System Generated Number

  • 0000062497

Structure Descriptors

InChI

1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

InChIKey

OEYIOHPDSNJKLS-UHFFFAOYSA-N

Smiles

C[N+](C)(C)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 35mg/kg (35mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 358, 1948.
cat LDLo subcutaneous 150mg/kg (150mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
frog LDLo subcutaneous 1500mg/kg (1500mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
guinea pig LDLo intraperitoneal 450mg/kg (450mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 85, Pg. 642, 1954.
rabbit LDLo intravenous 70mg/kg (70mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 83, Pg. 481, 1920.
rabbit LDLo rectal 460mg/kg (460mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 83, Pg. 481, 1920.
rabbit LDLo subcutaneous 500mg/kg (500mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 358, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -5.160 (none)   EST
Atmospheric OH Rate Constant 1.86E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.