Choline bitartrateProduct ingredient for Choline
- Name
- Choline bitartrate
- Drug Entry
- Choline
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.
- Accession Number
- DBSALT001542
- Structure
Structure for Choline bitartrate (DBSALT001542)
- Synonyms
- Not Available
- UNII
- 6K2W7T9V6Y
- CAS Number
- 87-67-2
- Weight
- Average: 253.251
Monoisotopic: 253.116151956 - Chemical Formula
- C9H19NO7
- InChI Key
- QWJSAWXRUVVRLH-LREBCSMRSA-M
- InChI
- InChI=1S/C5H14NO.C4H6O6/c1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t;1-,2-/m.1/s1
- IUPAC Name
- (2-hydroxyethyl)trimethylazanium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate
- SMILES
- C[N+](C)(C)CCO.O[C@H]([C@@H](O)C([O-])=O)C(O)=O
- External Links
- Predicted Properties
Property Value Source Water Solubility 11.2 mg/mL ALOGPS logP -2.3 ALOGPS logP -1.8 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 2.72 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 117.89 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 37.05 m3·mol-1 Chemaxon Polarizability 11.26 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon