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    Mycophenolate Sodium

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    2D Structure
    Also known as: 37415-62-6, Sodium mycophenolate, Mycophenolic acid sodium salt, Mycophenolic acid monosodium salt, Erl 080, Mycophenolate sodium [usan]
    Molecular Formula
    C17H19NaO6
    Molecular Weight
    342.3  g/mol
    InChI Key
    DOZYTHNHLLSNIK-JOKMOOFLSA-M
    FDA UNII
    WX877SQI1G
    Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
    2.1.2 InChI
    InChI=1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;
    2.1.3 InChI Key
    DOZYTHNHLLSNIK-JOKMOOFLSA-M
    2.1.4 Canonical SMILES
    CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)[O-])O.[Na+]
    2.1.5 Isomeric SMILES
    CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)[O-])O.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    WX877SQI1G
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cellcept

    2. Mofetil Hydrochloride, Mycophenolate

    3. Mofetil, Mycophenolate

    4. Mycophenolate Mofetil

    5. Mycophenolate Mofetil Hydrochloride

    6. Mycophenolate, Sodium

    7. Mycophenolic Acid

    8. Mycophenolic Acid Morpholinoethyl Ester

    9. Myfortic

    10. Rs 61443

    11. Rs-61443

    12. Rs61443

    13. Sodium Mycophenolate

    2.3.2 Depositor-Supplied Synonyms

    1. 37415-62-6

    2. Sodium Mycophenolate

    3. Mycophenolic Acid Sodium Salt

    4. Mycophenolic Acid Monosodium Salt

    5. Erl 080

    6. Mycophenolate Sodium [usan]

    7. Sodium Mycophenalate

    8. Erl-080

    9. Mycophenolic Acid, Sodium Salt

    10. Wx877sqi1g

    11. Chebi:67155

    12. Sodium;(e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-enoate

    13. Nsc-116072

    14. 4-hexenoic Acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, Sodium Salt(1:1) , (4e)-

    15. Mycophenolic Acid (sodium)

    16. 4-hexenoic Acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, Monosodium Salt, (4e)-

    17. Sodium 4(e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate

    18. Sodium (e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate

    19. Unii-wx877sqi1g

    20. Nsc 116072

    21. Femulan

    22. Erl 080a

    23. Mycophenolic Sod

    24. Myfortic (tn)

    25. Ec-mps

    26. Starbld0043375

    27. Mycophenolatesodium

    28. Mycophenolate Sodium (usp)

    29. 4-hexenoic Acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, Monosodium Salt, (e)-

    30. Erl-080a

    31. Schembl1649229

    32. Chembl2106643

    33. Hy-b0421a

    34. Mycophenolate Sodium [vandf]

    35. Mycophenolate Sodium [mart.]

    36. Mycophenolate Sodium [usp-rs]

    37. Mycophenolate Sodium [who-dd]

    38. Akos015969286

    39. 4-hexenoic Acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, Sodium Salt

    40. As-17786

    41. Mycophenolate Sodium [ep Monograph]

    42. Mycophenolic Acid Sodium Salt [mi]

    43. Mycophenolate Sodium [usp Monograph]

    44. Cs-0103129

    45. D05095

    46. D93087

    47. Q27135653

    48. Sodium (4e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate

    49. Sodium;(e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-enoic Acid

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 342.3 g/mol
    Molecular Formula C17H19NaO6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass342.10793260 g/mol
    Monoisotopic Mass342.10793260 g/mol
    Topological Polar Surface Area95.9 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity492
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antibiotics, Antineoplastic

    Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)

    Antibiotics, Antitubercular

    Substances obtained from various species of microorganisms that are, alone or in combination with other agents, of use in treating various forms of tuberculosis; most of these agents are merely bacteriostatic, induce resistance in the organisms, and may be toxic. (See all compounds classified as Antibiotics, Antitubercular.)

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)