Name
Phosphorylcholine chloride
Drug Entry
N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium

Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.

Accession Number
DBSALT001985
Structure
Synonyms
Choline phosphate / Choline phosphate chloride / Choline phosphochloride / Choline, chloride, dihydrogen phosphate (7CI,8CI) / Phosphocholine / Phosphocholine chloride / Phosphorylcholine / Phosphorylcholine hydrochloride / trimethyl(2-(phosphonooxy)ethyl)ammonium chloride
UNII
96AN057F7A
CAS Number
107-73-3
Weight
Average: 219.6
Monoisotopic: 219.0427227
Chemical Formula
C5H15ClNO4P
InChI Key
PYJNAPOPMIJKJZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H14NO4P.ClH/c1-6(2,3)4-5-10-11(7,8)9;/h4-5H2,1-3H3,(H-,7,8,9);1H
IUPAC Name
[2-(trimethylazaniumyl)ethoxy]phosphonic acid chloride
SMILES
[Cl-].C[N+](C)(C)CCOP(O)(O)=O
ChemSpider
7598
ChEBI
61040
Predicted Properties
PropertyValueSource
Water Solubility6.65 mg/mLALOGPS
logP-3.5ALOGPS
logP-4.8Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)1.15Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area66.76 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity53.07 m3·mol-1Chemaxon
Polarizability17.12 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon