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    Technical details about Meciadanol, learn more about the structure, uses, toxicity, action, side effects and more

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    Meciadanol

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 65350-86-9, Meciadanol [inn], 3-o-methylcatechin, 2h64se2uxs, (2r,3s)-3-methoxy-3',4',5,7-flavantetrol, (2r,3s)-2-(3,4-dihydroxyphenyl)-3-methoxy-3,4-dihydro-2h-chromene-5,7-diol
    Molecular Formula
    C16H16O6
    Molecular Weight
    304.29  g/mol
    InChI Key
    PDHSAQOQVUXZGQ-JKSUJKDBSA-N
    FDA UNII
    2H64SE2UXS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S)-2-(3,4-dihydroxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
    2.1.2 InChI
    InChI=1S/C16H16O6/c1-21-15-7-10-12(19)5-9(17)6-14(10)22-16(15)8-2-3-11(18)13(20)4-8/h2-6,15-20H,7H2,1H3/t15-,16+/m0/s1
    2.1.3 InChI Key
    PDHSAQOQVUXZGQ-JKSUJKDBSA-N
    2.1.4 Canonical SMILES
    COC1CC2=C(C=C(C=C2OC1C3=CC(=C(C=C3)O)O)O)O
    2.1.5 Isomeric SMILES
    CO[C@H]1CC2=C(C=C(C=C2O[C@@H]1C3=CC(=C(C=C3)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    2H64SE2UXS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-methoxy-5,7,3',4'-tetrahydroxyflavan

    2. 3',4',5,7-tetrahydroxy-3-methoxyflavan

    3. 3-mthf

    4. 3-o-methylcatechin

    5. 3-o-methylcatechin, (2r-trans)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 65350-86-9

    2. Meciadanol [inn]

    3. 3-o-methylcatechin

    4. 2h64se2uxs

    5. (2r,3s)-3-methoxy-3',4',5,7-flavantetrol

    6. (2r,3s)-2-(3,4-dihydroxyphenyl)-3-methoxy-3,4-dihydro-2h-chromene-5,7-diol

    7. Meciadanolum

    8. (2r,3s)-2-(3,4-dihydroxyphenyl)-3-methoxychroman-5,7-diol

    9. Meciadanolum [latin]

    10. Unii-2h64se2uxs

    11. Einecs 265-710-7

    12. Zy 15029

    13. 2-ethylhexylsalicylate

    14. (2r,3s)-2-(3,4-dihydroxyphenyl)-3-methoxy-5,7-chromandiol

    15. Schembl790768

    16. Chembl2106853

    17. Dtxsid201024352

    18. 3-o-methyl-(+)-catechin

    19. Q3073725

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 304.29 g/mol
    Molecular Formula C16H16O6
    XLogP30.9
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass304.09468823 g/mol
    Monoisotopic Mass304.09468823 g/mol
    Topological Polar Surface Area99.4 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity378
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Ulcer Agents

    Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief. (See all compounds classified as Anti-Ulcer Agents.)

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)