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5 Drugs in Development

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Also known as: Abtl-0812, Alpha-hydroxylinoleic acid, Abtl0812, 2-hydroxylinoleic acid, 0de74tj7ez, 9,12-octadecadienoic acid, 2-hydroxy-, (9z,12z)-

Molecular Formula

C₁₈H₃₂O₃

Molecular Weight

296.4 g/mol

InChI Key

AFDSETGKYZMEEA-HZJYTTRNSA-N

FDA UNII

0DE74TJ7EZ

sodium salt formulation derivative from 2-hydroxy-linoleic acid

1 2D Structure

Ibrilatazar

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid

2.1.2 InChI

InChI=1S/C18H32O3/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)/b7-6-,10-9-

2.1.3 InChI Key

AFDSETGKYZMEEA-HZJYTTRNSA-N

2.2 Other Identifiers

2.2.1 UNII

0DE74TJ7EZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Abtl0812

2. Abtl-0812

3. Alpha-hydroxylinoleic Acid

4. 2-hydroxy-9z,12z-octadecadienoic Acid

2.3.2 Depositor-Supplied Synonyms

1. Abtl-0812

2. Alpha-hydroxylinoleic Acid

3. Abtl0812

4. 2-hydroxylinoleic Acid

5. 0de74tj7ez

6. 9,12-octadecadienoic Acid, 2-hydroxy-, (9z,12z)-

7. Scln0812

8. Scln-0812

9. Chebi:136927

10. Lp10218

11. Lp-10218

12. 57818-44-7

13. (9z,12z)-2-hydroxyoctadeca-9,12-dienoic Acid

14. (alpha)-hydroxylinoleic Acid

15. 2-hydroxy-9z,12z-octadecadienoic Acid

16. (9z,12z)-2-hydroxy-9,12-octadecadienoic Acid

17. 9,12-octadecadienoic Acid, 2-hydroxy-, (z,z)-

18. Hydroxylinoleic Acid

19. Ibrilatazar [inn]

20. Unii-0de74tj7ez

21. Schembl320069

22. Orb1708145

23. Dtxsid301258077

24. .alpha.-hydroxylinoleic Acid

25. Hy-u00141

26. Lmfa02000290

27. S9611

28. Akos040740632

29. Cs-7178

30. (9z,12z)-2-hydroxyoctadecadienoic Acid

31. Da-79166

32. Ms-24253

33. G16137

34. Rac-(2r)-(9z,12z)-2-hydroxyoctadeca-9,12-dienoic Acid

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₂O₃
Molecular Weight	296.4 g/mol
XLogP3	5.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	57.5
Heavy Atom Count	21
Formal Charge	0
Complexity	295
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1