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    Silymarin

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    GLOBAL SALES INFORMATION

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 33Xls

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    2D Structure
    Also known as: Silybin a,b (mixture), 802918-57-6, Silybin (a+b), (2r,3r)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one, Legalon, Silibin
    Molecular Formula
    C25H22O10
    Molecular Weight
    482.4  g/mol
    InChI Key
    SEBFKMXJBCUCAI-DBMPWETRSA-N
    A mixture of flavonoids extracted from seeds of the MILK THISTLE, Silybum marianum. It consists primarily of silybin and its isomers, silicristin and silidianin. Silymarin displays antioxidant and membrane stabilizing activity. It protects various tissues and organs against chemical injury, and shows potential as an antihepatoxic agent.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
    2.1.2 InChI
    InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20?,23-,24?,25+/m0/s1
    2.1.3 InChI Key
    SEBFKMXJBCUCAI-DBMPWETRSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
    2.1.5 Isomeric SMILES
    COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2,3 Dehydrosilybin

    2. 2,3-dehydrosilybin

    3. Alepa Forte

    4. Alepa-forte

    5. Ardeyhepan

    6. Cefasilymarin

    7. Durasilymarin

    8. Hepa Loges

    9. Hepa Merz Sil

    10. Hepa-loges

    11. Hepa-merz Sil

    12. Hepabesch

    13. Hepar Pasc

    14. Hepar-pasc

    15. Heparsyx

    16. Heplant

    17. Lagosa

    18. Legalon Forte

    19. Silibin

    20. Silibinin

    21. Silibinin A

    22. Silibinin B

    23. Silybin A

    24. Silybin B

    25. Silybinin

    26. Carsil

    27. Karsil

    28. Legalon

    29. Silimarin

    30. Silymarin

    2.2.2 Depositor-Supplied Synonyms

    1. Silybin A,b (mixture)

    2. 802918-57-6

    3. Silybin (a+b)

    4. (2r,3r)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

    5. Legalon

    6. Silibin

    7. Silliver

    8. Silybine

    9. Silymarin

    10. Chembl9509

    11. Silibinin A-silibinin B Mixt.

    12. Schembl14270800

    13. Schembl22398934

    14. Hy-n0779a

    15. Cs-0138778

    16. S0508

    17. E80721

    18. Silybin (mixture Of Silybin A And B) 100 Microg/ml In Acetonitrile

    19. (2r,3r)-2,3-dihydro-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-hydroxymethyl-2,3-dihydro-1,4-benzodioxin-6-yl]-4h-1-benzopyran-4-one

    20. 2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-6-(3,5,7-trihydroxy-4-oxobenzopyran-2-yl)benzodioxine

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 482.4 g/mol
    Molecular Formula C25H22O10
    XLogP32.4
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count4
    Exact Mass482.12129689 g/mol
    Monoisotopic Mass482.12129689 g/mol
    Topological Polar Surface Area155 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity750
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents, Phytogenic

    Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity. (See all compounds classified as Antineoplastic Agents, Phytogenic.)

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

    Protective Agents

    Synthetic or natural substances which are given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent. (See all compounds classified as Protective Agents.)

    4.2 ATC Code

    A - Alimentary tract and metabolism

    A05 - Bile and liver therapy

    A05B - Liver therapy, lipotropics

    A05BA - Liver therapy

    A05BA03 - Silymarin