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MolPort-001-011-909

MolPort-001-011-909

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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

MolPort-001-011-909

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 Formula	C₁₂H₁₇NO₅
Molecular Weight	255.27 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	255.11067264 g/mol
Monoisotopic Mass	255.11067264 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	198
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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.)