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ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 Listed Suppliers, $ API Reference Price

1 API Suppliers
1 Listed Suppliers
$ API Reference Price

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 92-43-3, 1-phenylpyrazolidin-3-one, 1-phenyl-3-pyrazolidinone, 1-phenyl-3-pyrazolidone, Fenidon, 3-pyrazolidinone, 1-phenyl-

Molecular Formula

C₉H₁₀N₂O

Molecular Weight

162.19 g/mol

InChI Key

CMCWWLVWPDLCRM-UHFFFAOYSA-N

FDA UNII

H0U5612P6K

1 2D Structure

Phenidone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-phenylpyrazolidin-3-one

2.1.2 InChI

InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)

2.1.3 InChI Key

CMCWWLVWPDLCRM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(NC1=O)C2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

H0U5612P6K

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Phenidone Monohydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 92-43-3

2. 1-phenylpyrazolidin-3-one

3. 1-phenyl-3-pyrazolidinone

4. 1-phenyl-3-pyrazolidone

5. Fenidon

6. 3-pyrazolidinone, 1-phenyl-

7. Pyrazolidinone, 1-phenyl-

8. 1-phenyl-3-oxopyrazolidine

9. 2-pyrazolin-3-ol, 1-phenyl-

10. 1-p-3-p

11. 1-phenyl-pyrazolidin-3-one

12. 1-phenylpyrazolid-3-one

13. Chembl7660

14. 1-phenyl-4,5-dihydro-1h-pyrazol-3-ol

15. Mls002639322

16. H0u5612p6k

17. Nsc-30306

18. Ccris 3624

19. Einecs 202-155-1

20. 3-pyrazolidinone,1-phenyl-

21. Unii-h0u5612p6k

22. Phenidone A

23. Mfcd00003094

24. Wln: T5nmvtj Ar

25. N-phenylpyrazolidin-3-one

26. Chemdiv3_006595

27. Timtec1_001225

28. Dsstox_cid_29393

29. Dsstox_rid_83508

30. 1-phenyl Pyrazolidine-3-one

31. Dsstox_gsid_49433

32. Oprea1_428400

33. Schembl235192

34. Schembl9670254

35. Dtxsid1049433

36. Schembl10371905

37. 1-phenyl-3-pyrazolidinone, 97%

38. Hms1491l17

39. Hms1537h15

40. Hms3091p11

41. Hms3886e10

42. Albb-010492

43. Nsc30306

44. Zinc2769764

45. Tox21_202877

46. 1-phenyltetrahydro-3h-pyrazol-3-one

47. Bdbm50009004

48. S5520

49. Stk084358

50. Stk741678

51. Akos000119161

52. Akos003264132

53. (phenidone)1-phenyl-pyrazolidin-3-one

54. 1-phenyl-pyrazolidin-3-one(phenidone)

55. Ccg-207926

56. Cs-w010860

57. Fs-4504

58. Hy-w010144

59. Sdccgmls-0064787.p001

60. Cas-92-43-3

61. Idi1_024505

62. 1-phenyl-3-pyrazolidinone [mi]

63. 1-phenyl-pyrazolidin-3-one (phenidone)

64. Ncgc00174656-01

65. Ncgc00260423-01

66. Smr001548767

67. Db-057302

68. Ft-0608244

69. P0153

70. D78316

71. Sr-01000516084

72. Q-200133

73. Q3297749

74. Sr-01000516084-1

75. F0905-7615

76. 14776-33-1

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀N₂O
Molecular Weight	162.19 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	162.079312947 g/mol
Monoisotopic Mass	162.079312947 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Cyclooxygenase Inhibitors

Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes. (See all compounds classified as Cyclooxygenase Inhibitors.)

Lipoxygenase Inhibitors

Compounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES. (See all compounds classified as Lipoxygenase 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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