ABTL-0812 SodiumProduct ingredient for alpha-Hydroxylinoleic acid
- Name
- ABTL-0812 Sodium
- Drug Entry
- alpha-Hydroxylinoleic acid
alpha-Hydroxylinoleic acid is under investigation in clinical trial NCT04431258 (ABTL0812 in Combination With FOLFIRINOX for First-line Treatment of Metastatic Pancreatic Study).
- Accession Number
- DBSALT003376
- Structure
Structure for ABTL-0812 Sodium (DBSALT003376)
- Synonyms
- ABTL-0812 SODIUM SALT / SODIUM 2-HYDROXYLINOLEATE
- UNII
- X1840C8161
- CAS Number
- Not Available
- Weight
- Average: 318.433
Monoisotopic: 318.21708914 - Chemical Formula
- C18H31NaO3
- InChI Key
- VFXKYDDSDQXKLC-NBTZWHCOSA-M
- InChI
- InChI=1S/C18H32O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21;/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21);/q;+1/p-1/b7-6-,10-9-;
- IUPAC Name
- sodium (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoate
- SMILES
- [Na+].CCCCC\C=C/C\C=C/CCCCCCC(O)C([O-])=O
- External Links
- ChemSpider
- 64854727
- Predicted Properties
Property Value Source logP 5.55 Chemaxon pKa (Strongest Acidic) 4.29 Chemaxon pKa (Strongest Basic) -3.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.36 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 100.85 m3·mol-1 Chemaxon Polarizability 36.03 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon