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Pitavastatin Calcium

Pitavastatin Calcium

Synopsis, Chemistry

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Also known as: Pitavastatin calcium, 147526-32-7, Livalo, Nisvastatin, Nk-104, Itavastatin calcium

Molecular Formula

C₅₀H₄₆CaF₂N₂O₈

Molecular Weight

881.0 g/mol

InChI Key

RHGYHLPFVJEAOC-FFNUKLMVSA-L

FDA UNII

IYD54XEG3W

Pitavastatin Calcium is a calcium salt formulation of pitavastatin, a novel statin that induces plaque regression and elevates HDL-cholesterol levels.

1 2D Structure

Pitavastatin Calcium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate

2.1.2 InChI

InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1

2.1.3 InChI Key

RHGYHLPFVJEAOC-FFNUKLMVSA-L

2.1.4 Canonical SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]

2.1.5 Isomeric SMILES

C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[Ca+2]

2.2 Other Identifiers

2.2.1 UNII

IYD54XEG3W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (e,3r,5s)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic Acid

2. Itavastatin

3. Itavastatin Calcium

4. Nisvastatin

5. Nk 104

6. Nk-104

7. P 872441

8. P-872441

9. Pitavastatin

10. Pitavastatin Calcium

11. Pitavastatin Lactone

2.3.2 Depositor-Supplied Synonyms

1. Pitavastatin Calcium

2. 147526-32-7

3. Livalo

4. Nisvastatin

5. Nk-104

6. Itavastatin Calcium

7. Pitavastatin Calcium Salt

8. Calcium (3r,5s,e)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate

9. Nk 104

10. Iyd54xeg3w

11. Chebi:71258

12. Calcium;(e,3r,5s)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate

13. P-872441

14. Pitavastatin Calcium (jan)

15. Pitavastatin Calcium [jan]

16. Alipza

17. Flovas

18. Livazo

19. Unii-iyd54xeg3w

20. Nk 104 (acid)

21. Redevant

22. Ccris 8652

23. Livalo (tn)

24. Schembl22720

25. Bis((3r,5s,6e)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate), Monocalcium Salt

26. Chembl1237061

27. Dtxsid4046448

28. Chebi:94569

29. Pitavastatin Hemicalcium;nk-104

30. Nks-104

31. Act02718

32. Mfcd01937979

33. Pitavastatin Calcium [mart.]

34. Pitavastatin Calcium [who-dd]

35. Akos015900407

36. Pitavastatin Calcium Salt [mi]

37. Am84441

38. Ks-1220

39. (+)-monocalciumbis{(3r,5s,6e)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-hepten

40. 111ge002

41. 6-heptenoic Acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, Calcium Salt (2:1), (s-(r*,s*-(e)))-

42. Pitavastatin Calcium [orange Book]

43. D01862

44. Q-201590

45. Q27139472

46. (+)-monocalciumbis[(3r,5s,6e)-7-[2-cyclopropyl-4(4-fluorophenyl)-3-quinolyl]3,5-dihydroxy-6-hepteno Ate]

47. (3r,5s,6e)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic Acid Hemicalcium Salt

48. Bis((3r,5s,6e)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate) Monocalcium Salt

49. Calcium (3r,5s,e)-7-(2-cyclopropyl-4-(4-fluorophenyl)-quinolin-3-yl)-3,5-dihydroxyhept-6-enoate

50. Calcium Bis{(3r,5s,6e)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate}

2.4 Create Date

2005-10-11

3 Chemical and Physical Properties

Molecular Formula	C₅₀H₄₆CaF₂N₂O₈
Molecular Weight	881.0 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	14
Exact Mass	880.2848136 g/mol
Monoisotopic Mass	880.2848136 g/mol
Topological Polar Surface Area	187 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	626
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Livalo
PubMed Health	Pitavastatin (By mouth)
Drug Classes	Antihyperlipidemic
Active Ingredient	Pitavastatin calcium
Dosage Form	Tablet
Route	Oral
Strength	eq 4mg base; eq 2mg base; eq 1mg base
Market Status	Prescription
Company	Kowa

2 of 2
Drug Name	Livalo
PubMed Health	Pitavastatin (By mouth)
Drug Classes	Antihyperlipidemic
Active Ingredient	Pitavastatin calcium
Dosage Form	Tablet
Route	Oral
Strength	eq 4mg base; eq 2mg base; eq 1mg base
Market Status	Prescription
Company	Kowa

5 Pharmacology and Biochemistry

5.1 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.)

5.2 FDA Pharmacological Classification

5.2.1 Pharmacological Classes

Hydroxymethylglutaryl-CoA Reductase Inhibitors [MoA]; HMG-CoA Reductase Inhibitor [EPC]