Fluorocholine chloride F-18Product ingredient for Fluorocholine F-18
- Name
- Fluorocholine chloride F-18
- Drug Entry
- Fluorocholine F-18
- Accession Number
- DBSALT003117
- Structure
Structure for Fluorocholine chloride F-18 (DBSALT003117)
- Synonyms
- (18F)-Choline chloride
- UNII
- 7DKH3NEJ7F
- CAS Number
- 371173-14-7
- Weight
- Average: 156.62
Monoisotopic: 156.0695044 - Chemical Formula
- C5H13ClFNO
- InChI Key
- QJEHIIJVWXGJAB-ZZCPHWBCSA-M
- InChI
- InChI=1S/C5H13FNO.ClH/c1-7(2,5-6)3-4-8;/h8H,3-5H2,1-2H3;1H/q+1;/p-1/i6-1;
- IUPAC Name
- [(¹⁸F)fluoromethyl](2-hydroxyethyl)dimethylazanium chloride
- SMILES
- [Cl-].C[N+](C)(C[18F])CCO
- External Links
- ChemSpider
- 68006900
- Predicted Properties
Property Value Source Water Solubility 4.99 mg/mL ALOGPS logP -2 ALOGPS logP -4.5 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) 13.96 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 20.23 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 41.91 m3·mol-1 Chemaxon Polarizability 12.68 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon