Piroctone Olamine

Synopsis, Chemistry

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Also known as: 68890-66-4, Octopirox, Piroctone ethanolamine, Kopirox, Piroctone ethanolamine salt, Piroctone olamine [usan]

Molecular Formula

C₁₆H₃₀N₂O₃

Molecular Weight

298.42 g/mol

InChI Key

BTSZTGGZJQFALU-UHFFFAOYSA-N

FDA UNII

A4V5C6R9FB

1 2D Structure

Piroctone Olamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one

2.1.2 InChI

InChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11,17H,7,9H2,1-5H3;4H,1-3H2

2.1.3 InChI Key

BTSZTGGZJQFALU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=O)N(C(=C1)CC(C)CC(C)(C)C)O.C(CO)N

2.2 Other Identifiers

2.2.1 UNII

A4V5C6R9FB

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Octopirox

2.3.2 Depositor-Supplied Synonyms

1. 68890-66-4

2. Octopirox

3. Piroctone Ethanolamine

4. Kopirox

5. Piroctone Ethanolamine Salt

6. Piroctone Olamine [usan]

7. Octopyrox

8. 2-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one

9. A4v5c6r9fb

10. Nsc-759894

11. 2(1h)-pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, Compd. With 2-aminoethanol (1:1)

12. Piroctone Olamine (usan)

13. 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one Compound With 2-aminoethanol (1:1)

14. Piroctoneolamine

15. Einecs 272-574-2

16. Unii-a4v5c6r9fb

17. Octopirox (tn)

18. Hydroxyl Pyrazole Ketones

19. Ec 272-574-2

20. Schembl2843

21. 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1h)-pyridone Compound With 2-aminoethanol (1:1)

22. 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one, Compound With 2-aminoethanol (1:1)

23. 2(1h)-pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, Compound With 2-aminoethanol (1:1)

24. Chembl2107154

25. Piroctone Olamine [inci]

26. Piroctone Olamine [mart.]

27. Piroctone Olamine [usp-rs]

28. Amy40819

29. Bcp29912

30. Hy-b1345

31. Mfcd01690792

32. S5213

33. Piroctone Olamine, Analytical Standard

34. Akos025149526

35. Ccg-267454

36. Cs-7659

37. Nsc 759894

38. Piroctone Ethanolamine [who-dd]

39. 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1h)pyridinone, 2-aminoethanol Salt

40. As-15254

41. Piroctone Ethanolamine Salt (1:1)

42. Ft-0653357

43. P2178

44. D05505

45. Piroctone Ethanolamine Salt; Octopirox; Kopirox

46. Piroctone Ethanolamine Salt (1:1) [mi]

47. 890p664

48. A836281

49. Q412572

50. W-104652

51. 4-methyl-1-oxido-6-(2,4,4-trimethylpentyl)-2-pyridinone

52. 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1h)-pyridone Ethanolamine

53. Piroctone Olamine, United States Pharmacopeia (usp) Reference Standard

54. 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-1,2-dihydropyridin-2-one; 2-aminoethan-1-ol

55. 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-pyridone Monoethanolamine Salt

56. 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-pyridone Monoethanolamine, (+/-)-

57. 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one 2-aminoethanol Salt

58. 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one Compound With 2-aminoethan-1-ol (1:1)

59. 2(1h)-pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, Compd.with 2-aminoethanol (1:1)other Ca Index Names:ethanol, 2-amino-, Compd. With1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1h)-pyridinone (1:1)

60. Ethanol, 2-amino-, Compd. With 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1h)-pyridinone (1:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₀N₂O₃
Molecular Weight	298.42 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	298.22564282 g/mol
Monoisotopic Mass	298.22564282 g/mol
Topological Polar Surface Area	86.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	371
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2