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2D Structure
Also known as: Baycol, Rivastatin, 143201-11-0, Lipobay, Bay w 6228, Certa
Molecular Formula
C26H33FNNaO5
Molecular Weight
481.5  g/mol
InChI Key
GPUADMRJQVPIAS-QCVDVZFFSA-M
FDA UNII
6Q18G1060S

Cerivastatin Sodium is the sodium salt of cerivastatin, a synthetic lipid-lowering agent.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate
2.1.2 InChI
InChI=1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1
2.1.3 InChI Key
GPUADMRJQVPIAS-QCVDVZFFSA-M
2.1.4 Canonical SMILES
CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)[O-])O)O.[Na+]
2.1.5 Isomeric SMILES
CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O.[Na+]
2.2 Other Identifiers
2.2.1 UNII
6Q18G1060S
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 6-heptenoic Acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-, Monosodium Salt, (s-(r*,s*-(e)))-

2. 7-(4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyrid-3-yl)-3,5-dihydroxy-6-heptenoate Sodium Salt

3. Bay W 6228

4. Baycol

5. Cerivastatin

6. Certa

7. Kazak

8. Lipobay

9. Rivastatin

2.3.2 Depositor-Supplied Synonyms

1. Baycol

2. Rivastatin

3. 143201-11-0

4. Lipobay

5. Bay W 6228

6. Certa

7. Cerivastatin Sodium [usan]

8. Cerivastatin, Sodium Salt

9. Bay-w-6228

10. Cerivastatin Na

11. Cerivastatin Sodium Salt

12. Cpd000469148

13. Chebi:3559

14. (+)-sodium (3r,5s,6e)-7-(4-(p-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl)-3,5-dihydroxy-6-heptenoate

15. 143201-11-0 (sodium)

16. 6q18g1060s

17. Cerivastatin (sodium)

18. Dsstox_cid_26488

19. Dsstox_rid_81659

20. Dsstox_gsid_46488

21. 6-heptanoic Acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-(s-(r*,s*-(e)))-, Sodium Salt

22. Sodium (3r,5s,e)-7-(4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl)-3,5-dihydroxyhept-6-enoate

23. Cas-143201-11-0

24. Ncgc00164625-02

25. Cerivastatinsodium

26. Unii-6q18g1060s

27. Baycol (tn)

28. 7-(4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyrid-3-yl)-3,5-dihydroxy-6-heptenoate Sodium Salt

29. Bayw6228

30. Schembl41887

31. Schembl41888

32. 6-heptenoic Acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-, Monosodium Salt, (s-(r*,s*-(e)))-

33. Mls001424071

34. Chembl1200563

35. Dtxsid0046488

36. Cerivastatin Sodium (jan/usan)

37. Cerivastatin Sodium [jan]

38. Hms2051h13

39. Cerivastatin Sodium [vandf]

40. Cerivastatin Sodium [mart.]

41. Tox21_112244

42. Tox21_303882

43. Cerivastatin Sodium [who-dd]

44. Cerivastatin Sodium Salt [mi]

45. Akos015967306

46. Akos025149364

47. Tox21_112244_1

48. Ccg-100954

49. Nc00204

50. Cerivastatin Sodium [orange Book]

51. Ncgc00164625-04

52. Ncgc00357289-01

53. (3r,5s,6e)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-6-heptenoic Acid Sodium Salt

54. 6-heptenoic Acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-, Monosodium Salt, (3r,5s,6e)-

55. Smr000469148

56. Hy-109523

57. Cs-0031250

58. D00889

59. A808034

60. J-007766

61. Q27106131

62. Sodium (3r,5s,6e)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate

63. Sodium (e,3r,5s)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxy-6-heptenoate

64. Sodium (e,3r,5s)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-bis(oxidanyl)hept-6-enoate

65. Sodium;(e,3r,5s)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 481.5 g/mol
Molecular Formula C26H33FNNaO5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass481.22404560 g/mol
Monoisotopic Mass481.22404560 g/mol
Topological Polar Surface Area103 Ų
Heavy Atom Count34
Formal Charge0
Complexity626
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Hydroxymethylglutaryl-CoA Reductase Inhibitors

Compounds that inhibit HYDROXYMETHYLGLUTARYL COA REDUCTASES. They have been shown to directly lower CHOLESTEROL synthesis. (See all compounds classified as Hydroxymethylglutaryl-CoA Reductase Inhibitors.)