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    Berberine Sulphate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: Berberine sulfate, 316-41-6, Berberin sulfate, Berberine sulfate (2:1), Berberal, Berberine sulfate trihydrate
    Molecular Formula
    C40H36N2O12S
    Molecular Weight
    768.8  g/mol
    InChI Key
    OJVABJMSSDUECT-UHFFFAOYSA-L
    FDA UNII
    FST3E667FF
    1 2D Structure

    2D Structure

    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;sulfate
    2.1.2 InChI
    InChI=1S/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2
    2.1.3 InChI Key
    OJVABJMSSDUECT-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    FST3E667FF
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Berberine Sulfate

    2. 316-41-6

    3. Berberin Sulfate

    4. Berberine Sulfate (2:1)

    5. Berberal

    6. Berberine Sulfate Trihydrate

    7. Neutral Berberine Sulfate

    8. 6190-33-6

    9. Ai3-61947

    10. Fst3e667ff

    11. Berberine Sulfate Anhydrous

    12. Erben

    13. Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, Sulfate (2:1)

    14. 5,6-dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium Sulfate

    15. Berberine Sulfate (van)

    16. Nsc-5355

    17. Hsdb 2170

    18. Nsc 5355

    19. Einecs 206-258-2

    20. Unii-fst3e667ff

    21. Berberinsulfat

    22. 5,6-dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium Hemisulfate

    23. Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydr0-9,10-dimethoxy-, Sulfate (2:1)

    24. Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, Sulfate (2:1)

    25. Schembl94112

    26. Berberine Sulfate [hsdb]

    27. Dtxsid70977452

    28. Berberine Sulfate [who-dd]

    29. Akos024319280

    30. 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;sulfate

    31. Bs-16855

    32. B0451

    33. Cs-0021605

    34. D88653

    35. Q27278174

    36. 5,6-dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium Sulphate

    37. 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium Sulfate(2:1)

    38. 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-iumsulfate(2:1)

    39. Bis(9,10-dimethoxy-5,6-dihydro-2h-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium) Sulfate

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 768.8 g/mol
    Molecular Formula C40H36N2O12S
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count4
    Exact Mass768.19889576 g/mol
    Monoisotopic Mass768.19889576 g/mol
    Topological Polar Surface Area170 Ų
    Heavy Atom Count55
    Formal Charge0
    Complexity551
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    EXPTL USE (VET): ORALLY ADMIN BERBERINE SULFATE (350-700 MG/KG) WAS EFFECTIVE IN TREATING CANDIDA ALBICANS INFECTIONS OF THE INTESTINE IN MICE.

    MIRSKA I ET AL; ARCH IMMUNOL THER EXP; 20(6) 921 (1972)

    EXPTL USE: DILATION OF HUMAN EYE PUPILS, TOPICAL ANESTHESIA &/OR FLUORESCENT STAINING OF CORNEAL EPITHELIAL DEFECTS &/OR FLUORESCENCE IN APPLANATION TONOMETRY, IS ACCOMPLISHED BY TOPICAL APPLICATION OF OPHTHALMIC SOLN OF HYDRASTIS COMPD SUCH AS BERBERINE.

    MEDOW NB, GRECO JJ; US PATENT NUMBER 3943251 03/09/76

    /PRC: FORMER USES/ BITTER STOMACHIC; ANTIBACTERIAL; ANTIMALARIAL; ANTIPYRETIC /BERBERINE/

    The Merck Index. 9th ed. Rahway, New Jersey: Merck & Co., Inc., 1976., p. 153

    MILD LOCAL ANESTHETIC ON MUCOUS MEMBRANE. /BERBERINE/

    Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-161

    5 Pharmacology and Biochemistry
    5.1 Absorption, Distribution and Excretion

    ...MAY BE ABSORBED THROUGH THE SKIN... /BERBERINE/

    Sax, N.I. Dangerous Properties of Industrial Materials. 5th ed. New York: Van Nostrand Rheinhold, 1979., p. 412