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    Technical details about Calcium Mefolinate, learn more about the structure, uses, toxicity, action, side effects and more

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    Calcium Mefolinate

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Calcium mefolinate, 26560-38-3, Calcium methyltetrahydrofolate, 9i291hq60g, Calcium;(2s)-2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate, 5-methyltetrahydrofolic acid calcium salt
    Molecular Formula
    C20H23CaN7O6
    Molecular Weight
    497.5  g/mol
    InChI Key
    VWBBRFHSPXRJQD-ZEDZUCNESA-L
    FDA UNII
    9I291HQ60G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(2S)-2-[[4-[(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-ZEDZUCNESA-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
    CN1C(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
    9I291HQ60G
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Calcium Mefolinate

    2. 26560-38-3

    3. Calcium Methyltetrahydrofolate

    4. 9i291hq60g

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

    6. 5-methyltetrahydrofolic Acid Calcium Salt

    7. Unii-9i291hq60g

    8. Nsc 173328

    9. Nsc-173328

    10. Calcium (2s)-2-(4-(((2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioate

    11. Calciumn5-methyltetrahydrofolate

    12. Calcium Mefolinate [who-dd]

    13. Calcium D,l-5-methyltetrahydrofolate

    14. Akos015901141

    15. As-75127

    16. Hy-17557

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

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

    19. 5-methyltetrahydrofolic Acid Calcium Salt Hydrate

    20. Calcium D,l-5-methyltetrahydrofolate [usp-rs]

    21. Q27272582

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

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

    2.4 Create Date
    2019-01-17
    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 Count1
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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