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Technical details about MolPort-001-776-498, learn more about the structure, uses, toxicity, action, side effects and more

MolPort-001-776-498

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

5 Suppliers, 5 USDMF

DOSSIERs // Finished Dosage Forms

2 Dossiers, 2 FDA Orange Book

MARKET PLACE

1 APIs

1 APIs

ANALYTICAL SOLUTION(s)

1 USP Standards, 1 Other Ref. Standards

1. Also known as: 423-55-2, 1-bromoperfluorooctane, Perfluorooctyl bromide, 1-bromoheptadecafluorooctane, Perfluoro-n-octyl bromide, Liquivent

Molecular Formula

C₈BrF₁₇

Molecular Weight

498.96 g/mol

InChI Key

WTWWXOGTJWMJHI-UHFFFAOYSA-N

FDA UNII

Q1D0Q7R4D9

Perflubron is a synthetic radiopaque liquid form of perfluorooctyl bromide. Used as a contrast agent for magnetic resonance imaging (MRI), perflubron is also used as a liquid ventilation agent to improve pulmonary gas exchange and lung compliance and may be used in surgery to reduce or eliminate the need for donor blood. Ventilation with perfluorocarbon fluid improves lung function in conditions involving surfactant deficiency and dysfunction, including respiratory distress syndrome and adult respiratory distress syndrome. (NCI04)

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane

2.1.2 InChI

InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26

2.1.3 InChI Key

WTWWXOGTJWMJHI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

2.2 Other Identifiers

2.2.1 UNII

Q1D0Q7R4D9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Af0144

2. Imagent Bp

3. Imagent Gi

4. L 1913

5. L-1913

6. La 11063

7. La11063

8. Oxygent

9. Perflubron Emulsion

10. Perfluoroctylbromide

11. Perfluorooctyl Bromide

12. Perfluorooctyl Iodide

13. Perfluorooctylbromide

14. Perfluorooctyliodide

15. Pfob

2.3.2 Depositor-Supplied Synonyms

1. 423-55-2

2. 1-bromoperfluorooctane

3. Perfluorooctyl Bromide

4. 1-bromoheptadecafluorooctane

5. Perfluoro-n-octyl Bromide

6. Liquivent

7. Perfluoroctyl Bromide

8. Imagent Gi

9. Perfluorooctylbromide

10. Pfob

11. Imagent

12. 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane

13. Heptadecafluoro-n-octyl Bromide

14. Bromoperfluoroctane

15. N-perfluorooctyl Bromide

16. Perfluorocaprylyl Bromide

17. Octane, 1-bromoheptadecafluoro-

18. Q1d0q7r4d9

19. Chebi:38803

20. Octane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-

21. Ncgc00166217-01

22. Long's Compound

23. Dsstox_cid_26560

24. Dsstox_rid_81719

25. Dsstox_gsid_46560

26. Cas-423-55-2

27. Einecs 207-028-4

28. Unii-q1d0q7r4d9

29. Perflubron [usan:usp:inn]

30. Imagent (tn)

31. Perfluoro-octylbromide

32. Perflubron [mi]

33. Perflubron (usp/inn)

34. Perflubron [inn]

35. Perflubron [usan]

36. Pfobperfluorooctyl Bromide

37. Perflubron [vandf]

38. Heptadecafluorooctyl Bromide

39. Bromure De N-perfluorooctyle

40. Perflubron [mart.]

41. Perflubron [usp-rs]

42. Perflubron [who-dd]

43. Schembl33826

44. Heptadecafluoro-n-octylbromide

45. 1-bromo-heptadecafluoro-octane

46. Chembl1200866

47. Dtxsid5046560

48. Perflubron [orange Book]

49. Cf3-(cf2)6-cf2-br

50. Perflubron [usp Monograph]

51. 1-bromoheptadecafluorooctane, 99%

52. Hy-b1724

53. Zinc8214650

54. Tox21_112353

55. Mfcd00042082

56. S3501

57. Akos015833872

58. Tox21_112353_1

59. Db05791

60. Fs-4333

61. Perfluorocaprylyl Bromide [inci]

62. Ncgc00166217-02

63. Db-050901

64. Cs-0013729

65. Ft-0607546

66. H0946

67. D05439

68. A825867

69. Sr-01000944517

70. Q2190150

71. Sr-01000944517-1

72. Perflubron, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈BrF₁₇
Molecular Weight	498.96 g/mol
XLogP3	6.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	6
Exact Mass	497.89119 g/mol
Monoisotopic Mass	497.89119 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	527
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 Drug and Medication Information

4.1 Drug Indication

Investigated for use/treatment in cardiac surgery, hemorrhage, and ileus.

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Contrast Media

Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)

Anti-Obesity Agents

Agents that increase energy expenditure and weight loss by neural and metabolic regulation. (See all compounds classified as Anti-Obesity Agents.)

Radiation-Sensitizing Agents

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)

5.2 ATC Code

V - Various

V08 - Contrast media

V08C - Magnetic resonance imaging contrast media

V08CX - Other magnetic resonance imaging contrast media

V08CX01 - Perflubron

5.3 Mechanism of Action

Perflubron emulsion (Oxygent) maintains hemodynamic stability during major surgery, thereby potentially reducing or avoiding intraoperative transfusions of donor blood in major surgery.Perflubron emulsion has ability to enable patients to be physiologically stable and safe at lower intraoperative Hb levels.

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