Doconexent sodiumProduct ingredient for Doconexent

Name
Doconexent sodium
Drug Entry
Doconexent

A mixture of fish oil and primrose oil, doconexent is used as a high-docosahexaenoic acid (DHA) supplement. DHA is a 22 carbon chain with 6 cis double bonds with anti-inflammatory effects. It can be biosythesized from alpha-linolenic acid or commercially manufactured from microalgae. It is an omega-3 fatty acid and primary structural component of the human brain, cerebral cortex, skin, and retina thus plays an important role in their development and function. The amino-phospholipid DHA is found at a high concentration across several brain subcellular fractions, including nerve terminals, microsomes, synaptic vesicles, and synaptosomal plasma membranes 10.

Accession Number
DBSALT002309
Structure
Thumb
Synonyms
Not Available
UNII
295P7EPT4C
CAS Number
81926-93-4
Weight
Average: 350.478
Monoisotopic: 350.22217452
Chemical Formula
C22H31NaO2
InChI Key
SNNDEWVSGZRIFE-FPYKSTABSA-M
InChI
InChI=1S/C22H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);/q;+1/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;
IUPAC Name
sodium (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
SMILES
[Na+].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC([O-])=O
External Links
ChemSpider
28296033
Predicted Properties
PropertyValueSource
Water Solubility0.000151 mg/mLALOGPS
logP6.78ALOGPS
logP6.75ChemAxon
logS-6.4ALOGPS
pKa (Strongest Acidic)4.89ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity122.23 m3·mol-1ChemAxon
Polarizability38.35 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon