loader
Please Wait
Applying Filters...

EuroAPI Header EuroAPI Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 1528636-39-6, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 1528636-39-6

    Manufacturers/Suppliers

    PharmaCompass

    With Fermion, start the journey of your innovative API.

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

    2D Structure
    1. Also known as: 1528636-39-6, (2s,3r,4s,5s)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,6-bis(hydroxymethyl)-2-methoxyoxane-3,4,5-triol, Unii-yv4yk89uzp, Yv4yk89uzp, Ertugliflozin related compound 1, Schembl22746824
    Molecular Formula
    C23H29ClO8
    Molecular Weight
    468.9  g/mol
    InChI Key
    BLHXRCSRYWCZJZ-QXUYBEEESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4S,5S)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,6-bis(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C23H29ClO8/c1-3-31-17-7-4-14(5-8-17)10-15-11-16(6-9-18(15)24)23(30-2)21(29)19(27)20(28)22(12-25,13-26)32-23/h4-9,11,19-21,25-29H,3,10,12-13H2,1-2H3/t19-,20-,21+,23-/m0/s1
    2.1.3 InChI Key
    BLHXRCSRYWCZJZ-QXUYBEEESA-N
    2.1.4 Canonical SMILES
    CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3(C(C(C(C(O3)(CO)CO)O)O)O)OC)Cl
    2.1.5 Isomeric SMILES
    CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@]3([C@@H]([C@H]([C@@H](C(O3)(CO)CO)O)O)O)OC)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1528636-39-6

    2. (2s,3r,4s,5s)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,6-bis(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

    3. Unii-yv4yk89uzp

    4. Yv4yk89uzp

    5. Ertugliflozin Related Compound 1

    6. Schembl22746824

    7. Amy32606

    8. Zinc584641381

    9. Ac-30371

    10. Alpha-d-xylo-hexopyranoside, Methyl 1-c-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-5-c-(hydroxymethyl)-

    2.3 Create Date
    2017-04-10
    3 Chemical and Physical Properties
    Molecular Weight 468.9 g/mol
    Molecular Formula C23H29ClO8
    XLogP31.3
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass468.1550956 g/mol
    Monoisotopic Mass468.1550956 g/mol
    Topological Polar Surface Area129 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity582
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY