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Levomefolate Calcium
Also known as: 151533-22-1, Calcium levomefolate, Bodyfolin, Metafolin, Nutrifolin, Levomefolinate calcium
Molecular Formula
C20H23CaN7O6
Molecular Weight
497.5  g/mol
InChI Key
VWBBRFHSPXRJQD-QNTKWALQSA-L
FDA UNII
A9R10K3F2F

1 2D Structure

Levomefolate Calcium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
2.1.2 InChI
InChI=1S/C20H25N7O6.Ca/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);/q;+2/p-2/t12-,13-;/m0./s1
2.1.3 InChI Key
VWBBRFHSPXRJQD-QNTKWALQSA-L
2.1.4 Canonical SMILES
CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]
2.1.5 Isomeric SMILES
CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
A9R10K3F2F
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Metafolin

2. N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-l-glutamic Acid Calcium Salt

3. Safyral

2.3.2 Depositor-Supplied Synonyms

1. 151533-22-1

2. Calcium Levomefolate

3. Bodyfolin

4. Metafolin

5. Nutrifolin

6. Levomefolinate Calcium

7. Lmca

8. L-methylfolate Calcium

9. Extrafolate-s

10. Levomefolate (calcium)

11. Deplin

12. Levomefolate Calcium [usan]

13. L-5-mthf-ca

14. L-methylfolate-calcium

15. Calcium L-5-methyltetrahydrofolate

16. Lmc-a

17. L-5-methyl Tetrahydrofolic

18. Bay86-7660

19. Bay 86-7660

20. L-5-methyltetrahydrofolate Calcium

21. A9r10k3f2f

22. (s)-2-(4-((((s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic Acid, Calcium Salt

23. Metafolin (tn)

24. (6s)-5-methyltetrahydrofolic Acid Calcium Salt

25. Levomefolate Calcium (usan)

26. Calcium;(2s)-2-[[4-[[(6s)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate

27. L-5-methyletrahydrofolate Calcium

28. Calcium N-(4-((((6s)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)-l-glutamate

29. Unii-a9r10k3f2f

30. Calcium L-methylfolate

31. Ndi 638 [fdms]

32. Chembl1615371

33. Ndi 638

34. Chebi:189695

35. Calcium;(2s)-2-[[4-[[(6s)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate

36. Levomefolate Calcium [vandf]

37. Calcium Levomefolate [mart.]

38. Mfcd18642975

39. Calcium Levomefolate [who-dd]

40. Akos025117256

41. Akos025402270

42. Ac-7457

43. Cs-1066

44. Gs-6017

45. Hy-17383

46. Levomefolate Calcium [orange Book]

47. N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-l-glutamic Acid Calcium Salt

48. Beyaz Component Levomefolate Calcium

49. Safyral Component Levomefolate Calcium

50. Levomefolate Calcium Component Of Beyaz

51. D09354

52. Calcium L-5-methyltetrahydrofolate [dsc]

53. Levomefolate Calcium Component Of Safyral

54. L-5-methyltetrahydrofolic Acid, Calcium Salt

55. Q27273818

56. 6(s)-5-methyltetrahydrofolic Acid, Calcium Salt [ndi]

57. (s)-2-(4-((((s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioicacid,calciumsalt

58. 129025-21-4

59. Calcium (2s)-2-[4-({[(6s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzamido]pentanedioate

60. Calcium (2s)-2-{[4-({[(6s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioate

61. Calcium (4-((((s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)-l-glutamate

62. L-glutamic Acid, N-(4-((((6s)-2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, Calcium Salt (1:1)

2.3.3 Other Synonyms

1. Deplin

2. Prefolic A

3. L-methyl Folate

4. Methyl Folate

2.4 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 497.5 g/mol
Molecular Formula C20H23CaN7O6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass497.1335723 g/mol
Monoisotopic Mass497.1335723 g/mol
Topological Polar Surface Area204 Ų
Heavy Atom Count34
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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