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    Mizagliflozin

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 666843-10-3, Mizagliflozin [inn], Mizagliflozin [who-dd], 1x96a704xv, Dsp-3235 free base, Kga-3235 free base
    Molecular Formula
    C28H44N4O8
    Molecular Weight
    564.7  g/mol
    InChI Key
    LREHMKLEOJAVMQ-TXKDOCKMSA-N
    FDA UNII
    1X96A704XV
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2-dimethyl-3-[3-[3-methyl-4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamide
    2.1.2 InChI
    InChI=1S/C28H44N4O8/c1-15(2)21-19(25(32-31-21)40-26-24(36)23(35)22(34)20(13-33)39-26)12-17-7-8-18(11-16(17)3)38-10-6-9-30-14-28(4,5)27(29)37/h7-8,11,15,20,22-24,26,30,33-36H,6,9-10,12-14H2,1-5H3,(H2,29,37)(H,31,32)/t20-,22-,23+,24-,26+/m1/s1
    2.1.3 InChI Key
    LREHMKLEOJAVMQ-TXKDOCKMSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)OCCCNCC(C)(C)C(=O)N)CC2=C(NN=C2OC3C(C(C(C(O3)CO)O)O)O)C(C)C
    2.1.5 Isomeric SMILES
    CC1=C(C=CC(=C1)OCCCNCC(C)(C)C(=O)N)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    1X96A704XV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(3-(4-(3-(glucopyranosyloxy)-5-isopropyl-1h-pyrazol-4-ylmethyl)-3-methylphenoxy)propylamino)-2,2-dimethylpropionamide

    2.3.2 Depositor-Supplied Synonyms

    1. 666843-10-3

    2. Mizagliflozin [inn]

    3. Mizagliflozin [who-dd]

    4. 1x96a704xv

    5. Dsp-3235 Free Base

    6. Kga-3235 Free Base

    7. Mizagliflozin [inn:who-dd]

    8. Unii-1x96a704xv

    9. Gsk-1614235 Free Base

    10. 3-((3-(4-((3-(beta-d-glucopyranosyloxy)-5-(propan-2-yl)-1h-pyrazol-4-yl)methyl)-3-methylphenoxy)propyl)amino)-2,2-dimethylpropanamide

    11. 3-((3-(4-((5-isopropyl-3-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-1h-pyrazol-4-yl)methyl)-3-methylphenoxy)propyl)amino)-2,2-dimethylpropanamide

    12. Propanamide, 3-((3-(4-((3-(beta-d-glucopyranosyloxy)-5-(1-methylethyl)-1h-pyrazol-4-yl)methyl)-3-methylphenoxy)propyl)amino)-2,2-dimethyl-

    13. Schembl933325

    14. Gtpl9547

    15. Ex-a4127

    16. S8939

    17. Akos040742145

    18. Hy-17638

    19. Ms-30231

    20. Cs-0016832

    21. Gsk-1614235 Free Basedsp-3235 Free Base

    22. Q27253060

    23. 2,2-dimethyl-3-[3-[3-methyl-4-[[3-propan-2-yl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2h-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamide

    24. 2,2-dimethyl-3-[3-[3-methyl-4-[[5-propan-2-yl-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1h-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamide

    25. 3-((3-(4-((3-(.beta.-d-glucopyranosyloxy)-5-(propan-2-yl)-1h-pyrazol-4-yl)methyl)-3-methylphenoxy)propyl)amino)-2,2-dimethylpropanamide

    26. 3-(3-{4-[3-(beta-d-glucopyranosyloxy)-5-isopropyl-1h-pyrazol-4-ylmethyl]-3-methylphenoxy}propylamino)-2,2-dimethylpropionamide

    27. 3-[[3-[4-[[3-(beta-d-glucopyranosyloxy)-5-isopropyl-1h-pyrazole-4-yl]methyl]-3-methylphenoxy]propyl]amino]-2,2-dimethylpropanamide

    28. Propanamide, 3-((3-(4-((3-(.beta.-d-glucopyranosyloxy)-5-(1-methylethyl)-1h-pyrazol-4-yl)methyl)-3-methylphenoxy)propyl)amino)-2,2-dimethyl-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 564.7 g/mol
    Molecular Formula C28H44N4O8
    XLogP31.5
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count14
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area192
    Heavy Atom Count40
    Formal Charge0
    Complexity789
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1