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
Thumb
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
ChemSpider
6634
Wikipedia
Choline
Predicted Properties
PropertyValueSource
Water Solubility11.2 mg/mLALOGPS
logP-2.3ALOGPS
logP-1.8ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)2.72ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area117.89 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.05 m3·mol-1ChemAxon
Polarizability11.26 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon