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    Chemistry

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    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
    Levomefolate Calcium
    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

    API Reference Price

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    02-Nov-2021
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