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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32O2.C6H14N2O2
Molecular Weight 474.6758
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 6
Charge 0

SHOW SMILES / InChI
Structure of Doconexent lysine salt

SMILES

NCCCC[C@H](N)C(O)=O.CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O

InChI

InChIKey=ORVWBOYNBFMSRG-WPQVCBABSA-N
InChI=1S/C22H32O2.C6H14N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;7-4-2-1-3-5(8)6(9)10/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);5H,1-4,7-8H2,(H,9,10)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;/t;5-/m.0/s1

HIDE SMILES / InChI

Molecular Formula C6H14N2O2
Molecular Weight 146.1876
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C22H32O2
Molecular Weight 328.4883
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 6
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:19:00 UTC 2023
Edited
by admin
on Sat Dec 16 20:19:00 UTC 2023
Record UNII
4RSC9PF5VC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Doconexent lysine salt
Common Name English
Lysine docosahexaenoate
Common Name English
L-Lysine, mono[(all-Z)-4,7,10,13,16,19-docosahexaenoate]
Systematic Name English
4,7,10,13,16,19-Docosahexaenoic acid, (all-Z)-, compd. with L-lysine (1:1)
Systematic Name English
Code System Code Type Description
CAS
171228-62-9
Created by admin on Sat Dec 16 20:19:00 UTC 2023 , Edited by admin on Sat Dec 16 20:19:00 UTC 2023
PRIMARY
FDA UNII
4RSC9PF5VC
Created by admin on Sat Dec 16 20:19:00 UTC 2023 , Edited by admin on Sat Dec 16 20:19:00 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY