Phosphorylcholine chlorideProduct ingredient for N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium
- 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
- External Links
- Predicted Properties
Property Value Source Water Solubility 6.65 mg/mL ALOGPS logP -3.5 ALOGPS logP -4.8 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) 1.15 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.76 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 53.07 m3·mol-1 Chemaxon Polarizability 17.12 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