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Chemistry

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Also known as: 5191-97-9, L-ornithine 2-oxoglutarate, Ornithine oxoglurate, Ornicetil, Ornithine-alpha-ketoglutarate, (l)-ornithine 2-oxoglutarate

Molecular Formula

C₁₀H₁₈N₂O₇

Molecular Weight

278.26 g/mol

InChI Key

SLPUVFBNQHVEEU-WCCKRBBISA-N

FDA UNII

4FEN49K96W

1 2D Structure

Cetornan

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2,5-diaminopentanoic acid;2-oxopentanedioic acid

2.1.2 InChI

InChI=1S/C5H12N2O2.C5H6O5/c6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,6-7H2,(H,8,9);1-2H2,(H,7,8)(H,9,10)/t4-;/m0./s1

2.1.3 InChI Key

SLPUVFBNQHVEEU-WCCKRBBISA-N

2.1.4 Canonical SMILES

C(CC(C(=O)O)N)CN.C(CC(=O)O)C(=O)C(=O)O

2.1.5 Isomeric SMILES

C(C[C@@H](C(=O)O)N)CN.C(CC(=O)O)C(=O)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

4FEN49K96W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Di-l-ornithine-alpha-ketoglutarate

2. Ornicetil

3. Ornithine 2-oxoglutarate

4. Ornithine Alpha-ketoglutarate

5. Ornithine Ketoglutarate

6. Ornithine Oxoglurate

2.3.2 Depositor-Supplied Synonyms

1. 5191-97-9

2. L-ornithine 2-oxoglutarate

3. Ornithine Oxoglurate

4. Ornicetil

5. Ornithine-alpha-ketoglutarate

6. (l)-ornithine 2-oxoglutarate

7. (s)-2,5-diaminopentanoic Acid Compound With 2-oxopentanedioic Acid (1:1)

8. Ornithine Oxoglutarate

9. 34414-83-0

10. Ornithine Monoxoglurate

11. L-ornithine, 2-oxopentanedioate (1:1)

12. 4fen49k96w

13. Ornithine .alpha.-ketoglutarate

14. (s)-2,5-diaminopentanoic Acid Compound With 2-oxopentanedioic Acid

15. L-ornithine, 2-oxopentanedioate (1:1)other Ca Index Names:pentanedioic Acid, 2-oxo-, Compd. With L-ornithine (1:1)

16. Unii-4fen49k96w

17. L-ornithine Akg

18. Einecs 225-976-7

19. Einecs 252-003-3

20. Ornithine Alphaketoglutarate

21. Mono-ornithine Keto-glutarate

22. Schembl393522

23. L-ornithine-alpha-ketoglutarate

24. L-ornithine Alpha-ketoglutarate

25. Chembl3138616

26. Dtxsid30958449

27. L-ornithine- Alpha -ketoglutarate

28. Mfcd00216457

29. Ornithine Oxoglurate [mart.]

30. Ornithine Oxoglurate [who-dd]

31. Akos015907742

32. L-ornithine Alpha-ketoglutarate Dihydrate

33. Bs-42452

34. Glutaric Acid, 2-oxo-, Compd. With L-ornithine

35. L-ornithine Alpha-ketoglutarate (1:1) Dihydrate

36. 191o979

37. Q7103624

38. (s)-2,5-diaminopentanoic Acid 2-oxopentanedioic Acid

39. Glutaric Acid, 2-oxo-, Compd. With L-ornithine (1:1)

40. .alpha.-ketoglutaric Acid Compound With L(+)-ornithine [mi]

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₈N₂O₇
Molecular Weight	278.26 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	278.11140092 g/mol
Monoisotopic Mass	278.11140092 g/mol
Topological Polar Surface Area	181 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	266
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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 ATC Code

A - Alimentary tract and metabolism

A05 - Bile and liver therapy

A05B - Liver therapy, lipotropics

A05BA - Liver therapy

A05BA06 - Ornithine oxoglurate

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