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