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    Mycophenolate Mofetil Hydrochloride

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    2D Structure
    Also known as: 116680-01-4, Mycophenolate mofetil hcl, Mycophenolate mofetil (hydrochloride), Mycophenolate mofetil hydrochloride [usan], Uxh81s8zvb, Rs-61443-190
    Molecular Formula
    C23H32ClNO7
    Molecular Weight
    470.0  g/mol
    InChI Key
    OWLCGJBUTJXNOF-HDNKIUSMSA-N
    FDA UNII
    UXH81S8ZVB
    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
    2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C23H31NO7.ClH/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3;/h4,26H,5-14H2,1-3H3;1H/b15-4+;
    2.1.3 InChI Key
    OWLCGJBUTJXNOF-HDNKIUSMSA-N
    2.1.4 Canonical SMILES
    CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O.Cl
    2.1.5 Isomeric SMILES
    CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    UXH81S8ZVB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cellcept

    2. Mofetil Hydrochloride, Mycophenolate

    3. Mofetil, Mycophenolate

    4. Mycophenolate Mofetil

    5. Mycophenolate Sodium

    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. 116680-01-4

    2. Mycophenolate Mofetil Hcl

    3. Mycophenolate Mofetil (hydrochloride)

    4. Mycophenolate Mofetil Hydrochloride [usan]

    5. Uxh81s8zvb

    6. Rs-61443-190

    7. Cellcept (tn)

    8. 2-(4-morpholinyl)ethyl Ester (e)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid, Hydrochloride

    9. 2-morpholin-4-ylethyl (e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-enoate;hydrochloride

    10. 2-morpholinoethyl (e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate Hydrochloride

    11. 2-morpholin-4-ylethyl (e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-hex-4-enoate Hydrochloride

    12. Mycophenolate Mofetil Hydrochloride (usan)

    13. Unii-uxh81s8zvb

    14. Rs 61443-190

    15. Mycophenolatemofetilhydrochloride

    16. Schembl1235420

    17. Chembl1200955

    18. Hy-b0199a

    19. Dtxsid101027191

    20. Akos000280984

    21. 4-hexenoic Acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl Ester, Hydrochloride, (4e)-

    22. 4-hexenoic Acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl Ester, Hydrochloride, (e)-

    23. D05094

    24. Mycophenolate Mofetil Hydrochloride [mart.]

    25. Mycophenolate Mofetil Hydrochloride [vandf]

    26. Mycophenolate Mofetil Hydrochloride [who-dd]

    27. Q27291325

    28. Mycophenolate Mofetil Hydrochloride [orange Book]

    29. 2-morpholin-4-ylethyl (e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-hex-

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 470.0 g/mol
    Molecular Formula C23H32ClNO7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count10
    Exact Mass469.1867301 g/mol
    Monoisotopic Mass469.1867301 g/mol
    Topological Polar Surface Area94.5 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity646
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameMycophenolate mofetil hydrochloride
    Drug LabelCellCept (mycophenolate mofetil) is the 2-morpholinoethyl ester of mycophenolic acid (MPA), an immunosuppressive agent; inosine monophosphate dehydrogenase (IMPDH) inhibitor.The chemical name for mycophenolate mofetil (MMF) is 2-morpholinoethyl (E)-6...
    Active IngredientMycophenolate mofetil hydrochloride
    Dosage FormInjectable
    Routeinjection
    Strength500mg
    Market StatusTentative Approval
    CompanyBedford Labs

    2 of 2  
    Drug NameMycophenolate mofetil hydrochloride
    Drug LabelCellCept (mycophenolate mofetil) is the 2-morpholinoethyl ester of mycophenolic acid (MPA), an immunosuppressive agent; inosine monophosphate dehydrogenase (IMPDH) inhibitor.The chemical name for mycophenolate mofetil (MMF) is 2-morpholinoethyl (E)-6...
    Active IngredientMycophenolate mofetil hydrochloride
    Dosage FormInjectable
    Routeinjection
    Strength500mg
    Market StatusTentative Approval
    CompanyBedford Labs

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    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.)

    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.)

    5.2 FDA Pharmacological Classification
    5.2.1 Pharmacological Classes
    Antimetabolite Immunosuppressant [EPC]