Please Wait
Applying Filters...
Menu
$ API Ref.Price (USD/KG) : 3Xls
2D Structure
Also known as: 546-63-4, Choline citrate, Tricholine citrate(ca. 65% in water), Eh8n140tj7, Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, salt with 2-hydroxy-1,2,3-propanetricarboxylic acid (3:1), 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropane-1,2,3-tricarboxylate
Molecular Formula
C21H47N3O10
Molecular Weight
501.6  g/mol
InChI Key
RPERJPYDELTDMR-UHFFFAOYSA-K
FDA UNII
EH8N140TJ7

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.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-hydroxyethyl(trimethyl)azanium;2-hydroxypropane-1,2,3-tricarboxylate
2.1.2 InChI
InChI=1S/C6H8O7.3C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*7H,4-5H2,1-3H3/q;3*+1/p-3
2.1.3 InChI Key
RPERJPYDELTDMR-UHFFFAOYSA-K
2.1.4 Canonical SMILES
C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
2.2 Other Identifiers
2.2.1 UNII
EH8N140TJ7
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-hydroxy-n,n,n-trimethylethanaminium

2. Bitartrate, Choline

3. Bursine

4. Chloride, Choline

5. Choline

6. Choline Bitartrate

7. Choline Chloride

8. Choline Citrate

9. Choline Hydroxide

10. Choline O Sulfate

11. Choline O-sulfate

12. Citrate, Choline

13. Fagine

14. Hydroxide, Choline

15. O-sulfate, Choline

16. Vidine

2.3.2 Depositor-Supplied Synonyms

1. 546-63-4

2. Choline Citrate

3. Tricholine Citrate(ca. 65% In Water)

4. Eh8n140tj7

5. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, Salt With 2-hydroxy-1,2,3-propanetricarboxylic Acid (3:1)

6. 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropane-1,2,3-tricarboxylate

7. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (3:1)

8. Unii-eh8n140tj7

9. Einecs 208-907-5

10. Arboxylicacid(3:1)

11. Dtxsid5060273

12. Choline Citrate [who-dd]

13. Tricholine Citrate [who-dd]

14. Mfcd00059985

15. Tricholine Citrate (ca.65%inwater)

16. Akos025295454

17. Tricholine Citrate (ca. 65% In Water)

18. Tricholine Citrate, >=65 Wt. % In H2o

19. Q27277189

20. 2-hydroxy-n,n,n-trimethylethanaminium2-hydroxypropane-1,2,3-tricarboxylate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 501.6 g/mol
Molecular Formula C21H47N3O10
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass501.32614470 g/mol
Monoisotopic Mass501.32614470 g/mol
Topological Polar Surface Area201 Ų
Heavy Atom Count34
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Lipotropic Agents

Endogenous factors or drugs that increase the transport and metabolism of LIPIDS including the synthesis of LIPOPROTEINS by the LIVER and their uptake by extrahepatic tissues. (See all compounds classified as Lipotropic Agents.)


Nootropic Agents

Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms. (See all compounds classified as Nootropic Agents.)