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    Calcium Folinate

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    $ API Ref.Price (USD/KG) : 2,262Xls

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    2D Structure
    Also known as: Calcium folinate, Calcium citrovorum factor, Folinic acid calcium salt, Folinic acid-sf, calcium salt, (+)-l-folinic acid, calcium salt, 1492-18-8
    Molecular Formula
    C20H23CaN7O7+2
    Molecular Weight
    513.5  g/mol
    InChI Key
    KVUAALJSMIVURS-ZEDZUCNESA-N
    The active metabolite of FOLIC ACID. Leucovorin is used principally as an antidote to FOLIC ACID ANTAGONISTS.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
    2.1.2 InChI
    InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/t12?,13-;/m0./s1
    2.1.3 InChI Key
    KVUAALJSMIVURS-ZEDZUCNESA-N
    2.1.4 Canonical SMILES
    C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.[Ca+2]
    2.1.5 Isomeric SMILES
    C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.[Ca+2]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 5 Formyltetrahydrofolate

    2. 5 Formyltetrahydropteroylglutamate

    3. 5-formyltetrahydrofolate

    4. 5-formyltetrahydropteroylglutamate

    5. Acid, Folinic

    6. Calcium Folinate

    7. Citrovorum Factor

    8. Factor, Citrovorum

    9. Folinate, Calcium

    10. Folinic Acid

    11. Folinic Acid Sf

    12. Folinic Acid-sf

    13. Leucovorin

    14. Leucovorin, (d)-isomer

    15. Leucovorin, (dl)-isomer

    16. Leucovorin, (r)-isomer

    17. Leucovorin, Calcium

    18. Leucovorin, Calcium (1:1) Salt

    19. Leucovorin, Calcium (1:1) Salt, (dl)-isomer

    20. Leucovorin, Calcium (1:1) Salt, Pentahydrate

    21. Leucovorin, Monosodium Salt

    22. Leukovorin

    23. Leukovorum

    24. Monosodium Salt Leucovorin

    25. N(5)-formyltetrahydrofolate

    26. Wellcovorin

    2.2.2 Depositor-Supplied Synonyms

    1. Calcium Folinate

    2. Calcium Citrovorum Factor

    3. Folinic Acid Calcium Salt

    4. Folinic Acid-sf, Calcium Salt

    5. (+)-l-folinic Acid, Calcium Salt

    6. 1492-18-8

    7. Nsc3590

    8. Sr-05000001662

    9. Pharmakon1600-01500364

    10. Nsc757083

    11. Nsc-757083

    12. Sr-05000001662-1

    13. Sr-05000001662-2

    14. Glutamic Acid,6,7,8-tetrahydro-4-hydroxy-6- Pteridinyl)methyl]amino]benzoyl]-, Calcium Salt (1:1), L-

    15. L-glutamic Acid,4,5,6,7,8-hexahydro-4-oxo-6- Pteridinyl)methyl]amino]benzoyl]-, Calcium Salt (1:1), (s)-

    2.3 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 513.5 g/mol
    Molecular Formula C20H23CaN7O7+2
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count9
    Exact Mass513.1284869 g/mol
    Monoisotopic Mass513.1284869 g/mol
    Topological Polar Surface Area216 Ų
    Heavy Atom Count35
    Formal Charge2
    Complexity911
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antidotes

    Agents counteracting or neutralizing the action of POISONS. (See all compounds classified as Antidotes.)

    Vitamin B Complex

    A group of water-soluble vitamins, some of which are COENZYMES. (See all compounds classified as Vitamin B Complex.)

    4.2 ATC Code

    V - Various

    V03 - All other therapeutic products

    V03A - All other therapeutic products

    V03AF - Detoxifying agents for antineoplastic treatment

    V03AF03 - Calcium folinate