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Details

Stereochemistry RACEMIC
Molecular Formula C18H31O3.Na
Molecular Weight 318.4267
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ABTL-0812 SODIUM

SMILES

[Na+].CCCCC\C=C/C\C=C/CCCCCCC(O)C([O-])=O

InChI

InChIKey=VFXKYDDSDQXKLC-NBTZWHCOSA-M
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-;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H31O3
Molecular Weight 295.4369
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 2
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:44:43 UTC 2023
Edited
by admin
on Sat Dec 16 12:44:43 UTC 2023
Record UNII
X1840C8161
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABTL-0812 SODIUM
Common Name English
SODIUM 2-HYDROXYLINOLEATE
Systematic Name English
ABTL-0812 SODIUM SALT
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 652418
Created by admin on Sat Dec 16 12:44:43 UTC 2023 , Edited by admin on Sat Dec 16 12:44:43 UTC 2023
EU-Orphan Drug EU/3/18/2121
Created by admin on Sat Dec 16 12:44:43 UTC 2023 , Edited by admin on Sat Dec 16 12:44:43 UTC 2023
FDA ORPHAN DRUG 489315
Created by admin on Sat Dec 16 12:44:43 UTC 2023 , Edited by admin on Sat Dec 16 12:44:43 UTC 2023
FDA ORPHAN DRUG 543816
Created by admin on Sat Dec 16 12:44:43 UTC 2023 , Edited by admin on Sat Dec 16 12:44:43 UTC 2023
Code System Code Type Description
PUBCHEM
91666690
Created by admin on Sat Dec 16 12:44:43 UTC 2023 , Edited by admin on Sat Dec 16 12:44:43 UTC 2023
PRIMARY
FDA UNII
X1840C8161
Created by admin on Sat Dec 16 12:44:43 UTC 2023 , Edited by admin on Sat Dec 16 12:44:43 UTC 2023
PRIMARY
SMS_ID
100000177209
Created by admin on Sat Dec 16 12:44:43 UTC 2023 , Edited by admin on Sat Dec 16 12:44:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY