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Technical details about MolPort-001-011-909, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 127464-43-1, 2-ethyl-6-methylpyridin-3-ol succinate, Emoxypine succinate, 2-ethyl-3-hydroxy-6-methylpyridine succinate, Emoxypine (succinate), Butanedioic acid, compd. with 2-ethyl-6-methyl-3-pyridinol (1:1)
Molecular Formula
C12H17NO5
Molecular Weight
255.27  g/mol
InChI Key
IKMNOGHPKNFPTK-UHFFFAOYSA-N
FDA UNII
2R985002CT

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
butanedioic acid;2-ethyl-6-methylpyridin-3-ol
2.1.2 InChI
InChI=1S/C8H11NO.C4H6O4/c1-3-7-8(10)5-4-6(2)9-7;5-3(6)1-2-4(7)8/h4-5,10H,3H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
2.1.3 InChI Key
IKMNOGHPKNFPTK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=C(C=CC(=N1)C)O.C(CC(=O)O)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
2R985002CT
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-ethyl-6-methyl-3-hydroxypyridine Succinate

2. 3-pyridinol, 2-ethyl-6-methyl-, Butanedioate (1:1) (salt)

3. Butanedioic Acid, Compd. With 2-ethyl-6-methyl-3-pyridinol (1:1)

4. Emoxypine Succinate

5. Methylethylpiridinol Succinate

6. Mexiprim

2.3.2 Depositor-Supplied Synonyms

1. 127464-43-1

2. 2-ethyl-6-methylpyridin-3-ol Succinate

3. Emoxypine Succinate

4. 2-ethyl-3-hydroxy-6-methylpyridine Succinate

5. Emoxypine (succinate)

6. Butanedioic Acid, Compd. With 2-ethyl-6-methyl-3-pyridinol (1:1)

7. 2r985002ct

8. 2-ethyl-6-methyl-3-pyridinol Succinate (salt)

9. Mexiprim

10. Emicidine

11. 2-ethyl-6-methyl-3-hydroxypyridine Succinate

12. Methylethylpiridinol Succinate

13. 2-ethyl-6-methyl-3-pyridinol Succinate

14. Unii-2r985002ct

15. Emicidin

16. Mexicor

17. Cambridge Id 5110148

18. Schembl1010987

19. Dtxsid30155577

20. 3-pyridinol, 2-ethyl-6-methyl-, Butanedioate (1:1) (salt)

21. Bcp13396

22. Hy-w002620a

23. Mfcd00445612

24. Akos003239209

25. 2-ethyl-6-methylpyridin-3-olsuccinate

26. Ds-13730

27. Cs-0182823

28. E1069

29. Ft-0660570

30. Butanedioic Acid;2-ethyl-6-methylpyridin-3-ol

31. Methylethylpiridinol Succinate [who-dd]

32. T71674

33. 647m960

34. A805706

35. Q-100116

36. Q27255507

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 255.27 g/mol
Molecular Formula C12H17NO5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass255.11067264 g/mol
Monoisotopic Mass255.11067264 g/mol
Topological Polar Surface Area108 Ų
Heavy Atom Count18
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Psychotropic Drugs

A loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents). (See all compounds classified as Psychotropic Drugs.)


Platelet Aggregation Inhibitors

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)


Antioxidants

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)


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