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Chemistry

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Also known as: 957-56-2, Fluindione [inn], 2-(p-fluorophenyl)-1,3-indandione, Lm 123, 2-(4-fluorophenyl)indene-1,3-dione, Previsccan

Molecular Formula

C₁₅H₉FO₂

Molecular Weight

240.23 g/mol

InChI Key

NASXCEITKQITLD-UHFFFAOYSA-N

FDA UNII

EQ35YMS20Q

Fluindione is under investigation for the treatment of Venous Thrombosis, Pulmonary Embolism, Permanent Atrial Fibrillation, and Anticoagulating Treatment on a Duration at Least 12-month-old Superior. Fluindione has been investigated for the treatment of Blood Coagulation Disorders.

1 2D Structure

Fluindione

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-fluorophenyl)indene-1,3-dione

2.1.2 InChI

InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H

2.1.3 InChI Key

NASXCEITKQITLD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)F

2.2 Other Identifiers

2.2.1 UNII

EQ35YMS20Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(4-fluorophenyl)-1,3-indanedione

2. Previscan

2.3.2 Depositor-Supplied Synonyms

1. 957-56-2

2. Fluindione [inn]

3. 2-(p-fluorophenyl)-1,3-indandione

4. Lm 123

5. 2-(4-fluorophenyl)indene-1,3-dione

6. Previsccan

7. 2-(4-fluorophenyl)-1h-indene-1,3(2h)-dione

8. 1h-indene-1,3(2h)-dione, 2-(4-fluorophenyl)-

9. Previscan

10. 1246820-41-6

11. Eq35yms20q

12. Chembl24924

13. Fluindione (inn)

14. Ncgc00160535-01

15. Fluindione 100 Microg/ml In Acetonitrile

16. Fluindiona

17. Fluindionum

18. Fluindionum [inn-latin]

19. Fluindiona [inn-spanish]

20. Einecs 213-484-5

21. Unii-eq35yms20q

22. 1,3-indandione, 2-(p-fluorophenyl)-

23. Brn 2052411

24. Previsccan (tn)

25. Starbld0009592

26. Fluindione [mi]

27. Maybridge3_005550

28. Fluindione [mart.]

29. Dsstox_cid_26211

30. Dsstox_rid_81439

31. Fluindione [who-dd]

32. Dsstox_gsid_46211

33. Oprea1_432146

34. Oprea1_554958

35. Mls006011684

36. Schembl309362

37. Dtxsid1046211

38. Chebi:134975

39. Hms1446m06

40. Lm123

41. Tox21_111879

42. Bdbm50280156

43. Lm-123

44. Akos003629941

45. Zinc100091724

46. 2-methyl-thiazolidine-4-carboxylicacid

47. At34140

48. Ccg-248812

49. Db13136

50. 2-(4-fluoro-phenyl)-indan-1,3-dione

51. Idi1_016937

52. Cas-957-56-2

53. Smr000567901

54. Ft-0668571

55. D07969

56. Sr-01000944829

57. Q3074488

58. Sr-01000944829-1

59. 2-(4-fluorophenyl)-2,3-dihydro-1h-indene-1,3-dione

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₉FO₂
Molecular Weight	240.23 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	240.05865769 g/mol
Monoisotopic Mass	240.05865769 g/mol
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	334
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

Anticoagulants

Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)

4.2 ATC Code

B - Blood and blood forming organs

B01 - Antithrombotic agents

B01A - Antithrombotic agents

B01AA - Vitamin k antagonists

B01AA12 - Fluindione

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Fluindione

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