AP-001 sodiumProduct ingredient for AP-001
- Name
- AP-001 sodium
- Drug Entry
- AP-001
- Accession Number
- DBSALT003459
- Structure
Structure for AP-001 sodium (DBSALT003459)
- Synonyms
- 4,7,11,13,15,19-DOCOSAHEXAENOIC ACID, 10,17-DIHYDROXY-, SODIUM SALT (1:1), (4Z,7Z,10R,11E,13E,15Z,17S,19Z)- / NEUROPROTECTIN D1 SODIUM / Sodium (4Z,7Z,10R,11E,13E,15Z,17S,19Z) 10,17-dihydroxy-docosa-4,7,11,13,15,19-hexaenoate
- UNII
- Q34CI1V0J6
- CAS Number
- 1450804-35-9
- Weight
- Average: 382.476
Monoisotopic: 382.21200376 - Chemical Formula
- C22H31NaO4
- InChI Key
- QUMMZNCRRKUJLQ-ZMGJSDJYSA-M
- InChI
- InChI=1S/C22H32O4.Na/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26;/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26);/q;+1/p-1/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+;/t20-,21+;/m0./s1
- IUPAC Name
- sodium (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate
- SMILES
- [Na+].CC\C=C/C[C@H](O)\C=C/C=C/C=C/[C@H](O)C\C=C/C\C=C/CCC([O-])=O
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 4.29 Chemaxon pKa (Strongest Acidic) 4.82 Chemaxon pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 80.59 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 125.26 m3·mol-1 Chemaxon Polarizability 40.79 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon