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2D Structure
Also known as: Ethyl linoleate-d2, 1404475-07-5, Deulinoleate ethyl [usan], 24b102r86p, Deulinoleate ethyl (usan), 9-cis, 12-cis-11,11-d2-linoleic acid ethyl ester
Molecular Formula
C20H36O2
Molecular Weight
310.5  g/mol
InChI Key
FMMOOAYVCKXGMF-XMCVDNGOSA-N
FDA UNII
24B102R86P

DEULINOLEATE ETHYL is a small molecule drug with a maximum clinical trial phase of I and has 1 investigational indication.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (9Z,12Z)-11,11-dideuteriooctadeca-9,12-dienoate
2.1.2 InChI
InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-/i10D2
2.1.3 InChI Key
FMMOOAYVCKXGMF-XMCVDNGOSA-N
2.2 Other Identifiers
2.2.1 UNII
24B102R86P
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Rt001

2.3.2 Depositor-Supplied Synonyms

1. Ethyl Linoleate-d2

2. 1404475-07-5

3. Deulinoleate Ethyl [usan]

4. 24b102r86p

5. Deulinoleate Ethyl (usan)

6. 9-cis, 12-cis-11,11-d2-linoleic Acid Ethyl Ester

7. Ethyl (9z,12z)-octadeca-9,12-dienoate-11,11-d2

8. Rt001

9. Chembl5095415

10. Unii-24b102r86p

11. Dtxsid201192521

12. Hy-w013812s2

13. Rt-001

14. Who 12134

15. Cs-27888

16. Cs-0774566

17. D12361

18. Ethyl (9z,12z)-9,12-octadecadienoate-11,11-d2

19. Ethyl (9z,12z)-11,11-dideuteriooctadeca-9,12-dienoate

20. 9,12-octadecadienoic-11,11-d2 Acid, Ethyl Ester, (9z,12z)-

2.4 Create Date
2017-01-29
3 Chemical and Physical Properties
Molecular Weight 310.5 g/mol
Molecular Formula C20H36O2
XLogP37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area26.3
Heavy Atom Count22
Formal Charge0
Complexity292
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1