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    Technical details about CAS 1672658-93-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1672658-93-3

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    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Canagliflozin impurity 10, Schembl14939240, 1672658-93-3, Ex-a2758, Cs-0164827, (3r,4s,5s,6r)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,3,4,5-tetraol? (canagliflozin impurity)
    Molecular Formula
    C24H25FO6S
    Molecular Weight
    460.5  g/mol
    InChI Key
    MKOMVMKJXCXABB-KKEQRHKBSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
    2.1.2 InChI
    InChI=1S/C24H25FO6S/c1-13-2-5-16(24(30)23(29)22(28)21(27)19(12-26)31-24)10-15(13)11-18-8-9-20(32-18)14-3-6-17(25)7-4-14/h2-10,19,21-23,26-30H,11-12H2,1H3/t19-,21-,22+,23-,24?/m1/s1
    2.1.3 InChI Key
    MKOMVMKJXCXABB-KKEQRHKBSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)C2(C(C(C(C(O2)CO)O)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F
    2.1.5 Isomeric SMILES
    CC1=C(C=C(C=C1)C2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Canagliflozin Impurity 10

    2. Schembl14939240

    3. 1672658-93-3

    4. Ex-a2758

    5. Cs-0164827

    6. (3r,4s,5s,6r)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,3,4,5-tetraol? (canagliflozin Impurity)

    2.3 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 460.5 g/mol
    Molecular Formula C24H25FO6S
    XLogP32.5
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass460.13558785 g/mol
    Monoisotopic Mass460.13558785 g/mol
    Topological Polar Surface Area139 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity619
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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