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    Selvigaltin

    DEVELOPMENTS

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    2D Structure
    Also known as: 1978336-95-6, 94en2e6blw, Gb-1211, Refchem:1098447, Gb1211, Selvigaltin [inn]
    Molecular Formula
    C19H16BrF3N4O4S
    Molecular Weight
    533.3  g/mol
    InChI Key
    FNCLKJPMEFPXOR-QFACEVIFSA-N
    FDA UNII
    94EN2E6BLW
    SELVIGALTIN is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 5 investigational indications.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R,4S,5R,6R)-2-[(5-bromo-3-pyridinyl)sulfanyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol
    2.1.2 InChI
    InChI=1S/C19H16BrF3N4O4S/c20-9-3-10(5-24-4-9)32-19-18(30)16(17(29)14(7-28)31-19)27-6-13(25-26-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2/t14-,16+,17+,18-,19-/m1/s1
    2.1.3 InChI Key
    FNCLKJPMEFPXOR-QFACEVIFSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    94EN2E6BLW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1978336-95-6

    2. 94en2e6blw

    3. Gb-1211

    4. Refchem:1098447

    5. Gb1211

    6. Selvigaltin [inn]

    7. Chembl5182222

    8. (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

    9. (2r,3r,4s,5r,6r)-2-((5-bromopyridin-3-yl)thio)-6-(hydroxymethyl)-4-(4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl)tetrahydro-2h-pyran-3,5-diol

    10. Selvigaltina

    11. Selvigaltine

    12. 5-bromopyridin-3-yl 3-deoxy-1-thio-3-(4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl)-alpha-d-galactopyranoside

    13. 5-bromopyridin-3-yl 3-deoxy-1-thio-3-[4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl]-alpha-d-galactopyranoside

    14. Selvigaltin (usan/inn)

    15. Selvigaltin [usan]

    16. Unii-94en2e6blw

    17. Orb1686286

    18. Schembl17964104

    19. Dtxsid201359521

    20. Glxc-26508

    21. Ex-a8646

    22. Bdbm50591132

    23. Gb1211?

    24. Ms-29855

    25. Hy-147041

    26. D12763

    27. (2r,3r,4s,5r,6r)-2-(5-bromopyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol

    28. 5-bromo-3-pyridinyl 3-deoxy-1-thio-3-(4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl)-alpha-d-galactopyranoside

    29. Alpha-d-galactopyranoside, 5-bromo-3-pyridinyl 3-deoxy-1-thio-3-(4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl)-

    30. Alpha-d-galactopyranoside, 5-bromo-3-pyridinyl-3-deoxy-1-thio-3-[4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl]-

    31. Ju0

    2.4 Create Date
    2016-12-08
    3 Chemical and Physical Properties
    Molecular Weight 533.3 g/mol
    Molecular Formula C19H16BrF3N4O4S
    XLogP31.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area139
    Heavy Atom Count32
    Formal Charge0
    Complexity625
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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