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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

RT001

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 Formula	C₂₀H₃₆O₂
Molecular Weight	310.5 g/mol
XLogP3	7.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	26.3
Heavy Atom Count	22
Formal Charge	0
Complexity	292
Isotope Atom Count	2
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1