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    CAS 714269-57-5

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    CAS 714269-57-5
    Also known as: 714269-57-5, Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-alpha-d-glucopyranoside, (2s,3r,4s,5s,6r)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol, (2s,3r,4s,5s,6r)-2-[4-chloro-3-(4-ethoxybenzyl)phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol, Methyl 1-c-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-alpha-d-glucopyranoside, Methyl 1-c-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-alpha-d-glucopyranoside
    Molecular Formula
    C22H27ClO7
    Molecular Weight
    438.9  g/mol
    InChI Key
    GKTWLVVOULBRDU-BDHVOXNPSA-N
    1 2D Structure

    CAS 714269-57-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C22H27ClO7/c1-3-29-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22(28-2)21(27)20(26)19(25)18(12-24)30-22/h4-9,11,18-21,24-27H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
    2.1.3 InChI Key
    GKTWLVVOULBRDU-BDHVOXNPSA-N
    2.1.4 Canonical SMILES
    CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3(C(C(C(C(O3)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@H](O3)CO)O)O)O)OC)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 714269-57-5

    2. Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-alpha-d-glucopyranoside

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

    4. (2s,3r,4s,5s,6r)-2-[4-chloro-3-(4-ethoxybenzyl)phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol

    5. Methyl 1-c-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-alpha-d-glucopyranoside

    6. Methyl 1-c-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-alpha-d-glucopyranoside

    7. Methoxy Dapagliflozin

    8. Unii-bwh63g5pjq

    9. Bwh63g5pjq

    10. Schembl3799163

    11. Dtxsid50647404

    12. Amy16482

    13. Mfcd27923102

    14. Zinc38428909

    15. Akos022175168

    16. Ac-27655

    17. As-47025

    18. Db-109072

    19. N-propargyl-1(r)-aminoindan Methanesulfonate

    20. J3.497.284b

    21. F11508

    22. 1?-methoxy Dapagliflozin, 1?-o-methyl Dapagliflozin

    23. (1r)-2,3-dihydro-n-2-propynl-1h-inden-1-amine Methanesulfonate

    24. Methyl 1-(3-(4-ethoxybenzyl)-4-chlorophenyl)-alpha-d-glucopyranoside

    25. Alpha-d-glucopyranoside, Methyl 1-c-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-

    26. (2s,3r,4s,5s,6r)-2-(4-chloro-3-(4-ethoxybenzyl) Phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2h-pyran-3,4,5-triol

    27. Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-?-d-glucopyranoside; (2s,3r,5s,6r)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2h-pyran-3,4,5-triol

    2.3 Create Date
    2008-06-09
    3 Chemical and Physical Properties
    Molecular Weight 438.9 g/mol
    Molecular Formula C22H27ClO7
    XLogP32.1
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass438.1445309 g/mol
    Monoisotopic Mass438.1445309 g/mol
    Topological Polar Surface Area109 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity530
    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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      CAS-714269-57-5
      Methyl 1-C-[4-chloro-3-[(4-ethoxyph...
      Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...
      Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.
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        714269-57-5
        (2S,3R,4S,5S,6R)-2-(4-chloro-3-(4-e...
        Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and ...
        Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and technical service of APIs, pharmaceutical intermediates and specialty chemicals. The marketing department is located in Nanjing. We have two GMP facilities in Jiangsu Province and cooperative factories in Zhejiang Province. The leading products range of the company is oncology and anti-diabetes . We also specialize in custom synthesis and contract research which demonstrates our state-of-the-art technology and capacity of synthesis.
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          714269-57-5
          Methyl 1-C-[4-Chloro-3-[(4-Ethoxyph...
          SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...
          SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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            Methyl 1-C-[4-Chloro-3-[(4-Ethoxyph...
            SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...
            SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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