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    Chemistry

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    Also known as: 141433-60-5, 68030-18-2, 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride hydrate, Berberine (chloride hydrate), Natural yellow 18 chloride hydrate, Natural yellow 18
    Molecular Formula
    C20H20ClNO5
    Molecular Weight
    389.8  g/mol
    InChI Key
    BPNJXFPOPCFZOC-UHFFFAOYSA-M
    Berberine Chloride Hydrate
    1 2D Structure

    Berberine Chloride Hydrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride;hydrate
    2.1.2 InChI
    InChI=1S/C20H18NO4.ClH.H2O/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;;/h3-4,7-10H,5-6,11H2,1-2H3;1H;1H2/q+1;;/p-1
    2.1.3 InChI Key
    BPNJXFPOPCFZOC-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.O.[Cl-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 141433-60-5

    2. 68030-18-2

    3. 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium Chloride Hydrate

    4. Berberine (chloride Hydrate)

    5. Natural Yellow 18 Chloride Hydrate

    6. Natural Yellow 18

    7. 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride;hydrate

    8. Berberinium Chloride Hydrate

    9. Kyoberin (tn)

    10. Starbld0019672

    11. Berberine Chloride Xhydrate

    12. Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, Chloride, Monohydrate

    13. Schembl1373393

    14. Dtxsid20987465

    15. Bcp28194

    16. Berberine Chloride Hydrate (jp17)

    17. Mfcd00149997

    18. Akos015895426

    19. Ac-4573

    20. Cs-3213

    21. Fs-4088

    22. Hy-17577

    23. Db-042565

    24. Ft-0631162

    25. Berberine Chloride Hydrate, 97%, Water <17%

    26. D01250

    27. D78345

    28. A885677

    29. 9,10-dimethoxy-5,6-dihydro-2h-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium Chloride--water (1/1/1)

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 389.8 g/mol
    Molecular Formula C20H20ClNO5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass389.1030004 g/mol
    Monoisotopic Mass389.1030004 g/mol
    Topological Polar Surface Area41.8 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity488
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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    Alps Pharmaceutical Co., Ltd.

    Japan
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    Japanese Pharmacopoeia Berberine Chloride Hydrate

    Registration Number : 221MF10207

    Registrant's Address : 2-10-50 Mukaimachi, Furukawa-cho, Hida-shi, Gifu Prefecture

    Initial Date of Registration : 2009-09-24

    Latest Date of Registration : 2020-04-22

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    Inga Pharmaceuticals

    India
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    Berberine chloride hydrate

    About the Company : Inga Pharmaceuticals (Inga), established in 1980, is involved in the cultivation, isolation and extraction of actives from plant sources. The Corporate Office is located in Mumbai ...

    Inga Pharmaceuticals (Inga), established in 1980, is involved in the cultivation, isolation and extraction of actives from plant sources. The Corporate Office is located in Mumbai & the manufacturing facility is located at Chennai. Plants required for the isolation of active principles are cultivated by the company at its own farms and those of its associates in India, Africa and the Americas. Inga has established excellent relations with it's customers in 60 countries through its dedicated service for the last 5 decades.
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