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    Chemistry

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    Also known as: 1118567-05-7, Egt1442, Egt-1442, Thr-1442, Bexagliflozin [usan], Egt0001442
    Molecular Formula
    C24H29ClO7
    Molecular Weight
    464.9  g/mol
    InChI Key
    BTCRKOKVYTVOLU-SJSRKZJXSA-N
    FDA UNII
    EY00JF42FV
    Bexagliflozin
    Bexagliflozin is under investigation for the treatment of Type 2 Diabetes Mellitus. Bexagliflozin has been investigated for the treatment of Diabetes Mellitus and Type2 Diabetes Mellitus.
    1 2D Structure

    Bexagliflozin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13-26)32-24)12-16(19)11-14-1-4-17(5-2-14)30-9-10-31-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,21-,22+,23-,24+/m1/s1
    2.1.3 InChI Key
    BTCRKOKVYTVOLU-SJSRKZJXSA-N
    2.1.4 Canonical SMILES
    C1CC1OCCOC2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl
    2.1.5 Isomeric SMILES
    C1CC1OCCOC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    EY00JF42FV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (2s,3r,4r,5s,6r)-2-(4-chloro-3-(4-(2-cyclopropoxyethoxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol

    2.3.2 Depositor-Supplied Synonyms

    1. 1118567-05-7

    2. Egt1442

    3. Egt-1442

    4. Thr-1442

    5. Bexagliflozin [usan]

    6. Egt0001442

    7. Ey00jf42fv

    8. (2s,3r,4r,5s,6r)-2-(4-chloro-3-(4-(2-cyclopropoxyethoxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol

    9. Chembl1808388

    10. Thr1442

    11. Bexagliflozin (usan)

    12. Egt-0001442

    13. (2s,3r,4r,5s,6r)-2-(4-chloro-3-((4-(2-(cyclopropyloxy)ethoxy)phenyl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol

    14. (2s,3r,4r,5s,6r)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

    15. D-glucitol, 1,5-anhydro-1-c-(4-chloro-3-((4-(2-(cyclopropyloxy)ethoxy)phenyl)methyl)phenyl)-, (1s)-

    16. Unii-ey00jf42fv

    17. Egt1442; Bexagliflozin

    18. Bexagliflozin [inn]

    19. Schembl302200

    20. Bexagliflozin [who-dd]

    21. Ex-a2332

    22. Bdbm50349249

    23. Zinc59047505

    24. Bexagliflozin(thr1442egt1442)

    25. Cs-5702

    26. Db12236

    27. (1s)-1,5-anhydro-1-c-[4-chloro-3-[[4-[2-(cyclopropyloxy)ethoxy]phenyl]methyl]phenyl]-d-glucitol

    28. Ac-33643

    29. As-55919

    30. Hy-17604

    31. C71393

    32. D10865

    33. J-500393

    34. Q27277423

    2.4 Create Date
    2009-03-30
    3 Chemical and Physical Properties
    Molecular Weight 464.9 g/mol
    Molecular Formula C24H29ClO7
    XLogP32.4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count9
    Exact Mass464.1601810 g/mol
    Monoisotopic Mass464.1601810 g/mol
    Topological Polar Surface Area109 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity569
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of type II diabetes mellitus

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Hypoglycemic Agents

    Substances which lower blood glucose levels. (See all compounds classified as Hypoglycemic Agents.)

    API Reference Price

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    24-Mar-2022
    07-Aug-2023
    KGS
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