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2D Structure
Also known as: Vitamin e tpgs, Tpgs, Tocophersolan [usan], Tocofersolan (inn), 30999-06-5, Tocophersolan (usan)
Molecular Formula
C35H58O6
Molecular Weight
574.8  g/mol
InChI Key
AOBORMOPSGHCAX-UHFFFAOYSA-N

Tocophersolan is a water-soluble amphipathic formulation of d-alpha-tocopherol succinate coupled, through a succinate linker, to polyethylene glycol (PEG) 1000. Due to its amphipathic property in which it forms its own micelles, tocophersolan is easily taken up into enterocytes, even in the absence of bile salts; fat soluble d-alpha-tocopherol is then released after hydrolysis. This formulation enhances the absorption of d-alpha-tocopherol compared to the administration of free d-alpha-tocopherol. In addition, tocophersolan may enhance the absorption of water-insoluble agents and other fat-soluble vitamins.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-O-(2-hydroxyethyl) 4-O-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioate
2.1.2 InChI
InChI=1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3
2.1.3 InChI Key
AOBORMOPSGHCAX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)OCCO)C
2.2 Synonyms
2.2.1 MeSH Synonyms

1. (+)-alpha-tocopheryl Polyethylene Glycol 1000 Succinate

2. Alpha-d-tocopherol Poly(ethylene Glycol) 2000 Succinate

3. Alpha-tocopheryl Polyethylene Glycol Succinate

4. Mono-(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl) Succinate Polyethylene Glycol Monoester

5. Poly(oxy-1,2-ethanediyl), Alpha-(4-((3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl)oxy)-1,4-dioxobutyl-omega-hydroxy-

6. Tocofersolan

7. Tocopherol Poly(ethylene Glycol) 2000 Succinate

8. Tocopherol Polyethylene Glycol Succinate

9. Tocophersolan, (2r-(2r*(4r*,8r*)))-isomer

10. Tocopheryl Poly(ethylene Glycol) 1000 Succinate

11. Tpgs

12. Tpgs 2k

13. Vitamin E-tpgs

14. Vitamine E Peg-1000-succinate

2.2.2 Depositor-Supplied Synonyms

1. Vitamin E Tpgs

2. Tpgs

3. Tocophersolan [usan]

4. Tocofersolan (inn)

5. 30999-06-5

6. Tocophersolan (usan)

7. 1-o-(2-hydroxyethyl) 4-o-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] Butanedioate

8. Tocofersolan [inn]

9. Poly(oxy-1,2-ethanediyl),a-[4-[[(2r)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-2h-1-benzopyran-6-yl]oxy]-1,4-dioxobutyl]-w-hydroxy-

10. Tocofersolano

11. Tocofersolanum

12. (+)-alpha-tocopheryl Polyethylene Glycol 1000 Succinate

13. Tocofersolan, Inn

14. Tocophersolan, Usan

15. Alpha-tocopheryl Polyethylene Glycol Succinate

16. Alpha-tocopheryl Polyethylene Glycol 1000 Succinate

17. Schembl3139787

18. Aquasol E Tpgs Liquid 77iu/ml

19. Dtxsid50860035

20. Chebi:176233

21. Bcp11679

22. Akos015967005

23. Ft-0675259

24. Tocopheryl Polyethylene Glycol 1000 Succinate

25. D06174

26. Q172409

27. D-alpha-tocopheryl Poly(ethylene Glycol) 1000 Succinate

28. D-alpha-tocopheryl Poly(ethylene Glycol)1000 Succinate

29. 1-(2-hydroxyethyl) 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2h-1-benzopyran-6-yl Butanedioate

30. 2-hydroxyethyl 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2h-1-benzopyran-6-yl Butanedioate

31. D08cvc;d-(c) Paragraph Sign-tocopherol Polyethylene Glycol 1000 Succinate; Tpgs; Vitamin E-tpgs

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 574.8 g/mol
Molecular Formula C35H58O6
XLogP39.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count20
Exact Mass574.42333957 g/mol
Monoisotopic Mass574.42333957 g/mol
Topological Polar Surface Area82.1 Ų
Heavy Atom Count41
Formal Charge0
Complexity768
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1