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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 91531-30-5, Antineoplaston a 10, N-[(3s)-2,6-dioxopiperidin-3-yl]-2-phenylacetamide, Atengenal, 16vy3tm7zo, Antineoplaston a-10

Molecular Formula

C₁₃H₁₄N₂O₃

Molecular Weight

246.26 g/mol

InChI Key

OQGRFQCUGLKSAV-JTQLQIEISA-N

FDA UNII

16VY3TM7ZO

Antineoplaston A10 is a piperidinedione antineoplaston with potential antineoplastic activity. Antineoplaston A10 was originally isolated from human urine but is now synthetically derived. This agent intercalates into DNA, resulting in cell cycle arrest in G1 phase, reduction of mitosis, and decreased protein synthesis. Antineoplaston A10 may also inhibit ras-oncogene expression and activate tumor suppressor gene p53, leading to cell differentiation and apoptosis. (NCI04)

1 2D Structure

Antineoplaston A10

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-phenylacetamide

2.1.2 InChI

InChI=1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)/t10-/m0/s1

2.1.3 InChI Key

OQGRFQCUGLKSAV-JTQLQIEISA-N

2.1.4 Canonical SMILES

C1CC(=O)NC(=O)C1NC(=O)CC2=CC=CC=C2

2.1.5 Isomeric SMILES

C1CC(=O)NC(=O)[C@H]1NC(=O)CC2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

16VY3TM7ZO

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-((phenylacetyl)amino)-2,6-piperidinedione

2. 3-(n-phenylacetylamino)-2,6-piperidinedione

3. A 10

4. A-10

5. A10

6. Antineoplaston-a10

7. N-(2,6-dioxo-3-piperidinyl)benzeneacetamide

2.3.2 Depositor-Supplied Synonyms

1. 91531-30-5

2. Antineoplaston A 10

3. N-[(3s)-2,6-dioxopiperidin-3-yl]-2-phenylacetamide

4. Atengenal

5. 16vy3tm7zo

6. Antineoplaston A-10

7. A-10

8. Antineoplaston-a10

9. Benzeneacetamide, N-(2,6-dioxo-3-piperidinyl)-, (s)-

10. A 10

11. Unii-16vy3tm7zo

12. Cengenal

13. 3-(n-phenylacetylamino)-2,6-piperidinedione

14. N-(2,6-dioxo-3-piperidinyl)benzeneacetamide

15. 3-((phenylacetyl)amino)-2,6-piperidinedione

16. Antineoplastona10

17. Antineoplaston A10 Capsules

18. Anp-a10

19. A10

20. Chembl1980825

21. Schembl20772654

22. Dtxsid00919683

23. Zinc1590366

24. Mfcd26961095

25. Nsc619130

26. N-(6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-3-yl)-2-phenylethanimidic Acid

27. Antineoplaston A 10 [who-dd]

28. Db11702

29. Nsc-619130

30. As-84380

31. Nci60_005691

32. Hy-128553

33. Cs-0095862

34. D80851

35. (s)-n-(2,6-dioxopiperidin-3-yl)-2-phenylacetamide

36. N-[(3s)-2,6-dioxo-3-piperidyl]-2-phenyl-acetamide

37. Q27251844

38. Benzeneacetamide, N-((3s)-2,6-dioxo-3-piperidinyl)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₄N₂O₃
Molecular Weight	246.26 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	246.10044231 g/mol
Monoisotopic Mass	246.10044231 g/mol
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	348
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	1