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MolPort-001-776-506

MolPort-001-776-506

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Also known as: Perflenapent, Perfluoropentane, 678-26-2, Perfluoro-n-pentane, Pentane, dodecafluoro-, Nvx-108

Molecular Formula

C₅F₁₂

Molecular Weight

288.03 g/mol

InChI Key

NJCBUSHGCBERSK-UHFFFAOYSA-N

FDA UNII

483AU1Y5CZ

Dodecafluoropentane is an ingredient in the EMA-withdrawn product EchoGen.

1 2D Structure

MolPort-001-776-506

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane

2.1.2 InChI

InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17

2.1.3 InChI Key

NJCBUSHGCBERSK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

483AU1Y5CZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane

2. 1,1,1,2,2,3,4,5,5,5-decafluoropentane

3. 1,1,1,2,3,4,4,5,5,5-decafluoropentane

4. 2,3-dihydroperfluoropentane

5. 2h,3h-perfluoropentane

6. Echogen

7. Nvx-108

8. Perflenapent

9. Perfluoropentane

2.3.2 Depositor-Supplied Synonyms

1. Perflenapent

2. Perfluoropentane

3. 678-26-2

4. Perfluoro-n-pentane

5. Pentane, Dodecafluoro-

6. Nvx-108

7. N-perfluoropentane

8. 483au1y5cz

9. Chebi:39428

10. Perfluoropentane; Dodecafluoropentane

11. 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane

12. Perfuoro-n-pentane

13. Ncgc00167420-01

14. Flutec Pp50

15. Perflenapent [usan]

16. Mfcd00042081

17. Einecs 211-647-5

18. Perflenapent [usan:inn]

19. Brn 1712388

20. Perflenapentum

21. Unii-483au1y5cz

22. Dodecafluoro-pentane

23. R 41(12)

24. Fluorinert Fc 87

25. Fluorinertr(fc-87)

26. Dodecafluoro-n-pentane

27. Dodecafluoropentane(s)

28. Flutec Pp 50

29. Perfluoropentane 99%

30. Fluorinert Pf 5050

31. Perflenapent (usan/inn)

32. Perflenapent [inn]

33. Dsstox_cid_26613

34. Dsstox_rid_81766

35. Dsstox_gsid_46613

36. Schembl33962

37. Perflenapent [mart.]

38. 4-01-00-00308 (beilstein Handbook Reference)

39. Perflenapent [who-dd]

40. Chembl1899801

41. Dtxsid3046613

42. Nvx 108

43. Fc 87

44. Moli000988

45. Zinc8214647

46. Tox21_112424

47. Dodecafluoropentane [ema Epar]

48. Akos025310445

49. Db11625

50. Fc 4112

51. Cas-678-26-2

52. D05436

53. A835897

54. Q7168152

55. W-109591

56. 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane #

57. Pentane, 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-

58. 1,1,1,2,2,3,3,4,4,5,5,5-dodecakis(fluoranyl)pentane

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅F₁₂
Molecular Weight	288.03 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	2
Exact Mass	287.9808379 g/mol
Monoisotopic Mass	287.9808379 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	250
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

EchoGen is a transpulmonary echocardiographic contrast agent for use in patients with suspected or established cardiovascular disease to provide opacification of cardiac chambers, enhance left ventricular border delineation with resulting improvement in wall motion visualisation.

EchoGen should only be used in patients where the study without contrast enhancement is inconclusive.

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.)

5.2 ATC Code

V08DA

V - Various

V08 - Contrast media

V08D - Ultrasound contrast media

V08DA - Ultrasound contrast media

V08DA03 - Perflenapent