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    Oxodipine

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Oxodipine [inn], 90729-41-2, Oxodipine, (+)-, Oxodipine, (-)-, 2mtw8ysx8g, Gpe63j28f0
    Molecular Formula
    C19H21NO6
    Molecular Weight
    359.4  g/mol
    InChI Key
    MSOAVHHAZCMHDI-UHFFFAOYSA-N
    FDA UNII
    GPE63J28F0
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-O-ethyl 3-O-methyl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
    2.1.2 InChI
    InChI=1S/C19H21NO6/c1-5-24-19(22)15-11(3)20-10(2)14(18(21)23-4)16(15)12-7-6-8-13-17(12)26-9-25-13/h6-8,16,20H,5,9H2,1-4H3
    2.1.3 InChI Key
    MSOAVHHAZCMHDI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C(NC(=C(C1C2=C3C(=CC=C2)OCO3)C(=O)OC)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    GPE63J28F0
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Oxodipine [inn]

    2. 90729-41-2

    3. Oxodipine, (+)-

    4. Oxodipine, (-)-

    5. 2mtw8ysx8g

    6. Gpe63j28f0

    7. 7t54300ums

    8. Ethyl Methyl 1,4-dihydro-2,6-dimethyl-4-(2,3-(methylenedioxy)phenyl)-3,5-pyridinedicarboxylate

    9. Oxodipinum [latin]

    10. Oxodipino [spanish]

    11. Oxodipinum

    12. Oxodipino

    13. 119914-33-9

    14. 119914-34-0

    15. 3,5-pyridinedicarboxylic Acid, 4-(1,3-benzodioxol-4-yl)-1,4-dihydro-2,6-dimethyl-, Ethyl Methyl Ester, (+)-

    16. 3,5-pyridinedicarboxylic Acid, 4-(1,3-benzodioxol-4-yl)-1,4-dihydro-2,6-dimethyl-, Ethyl Methyl Ester, (-)-

    17. Iqb-837-v

    18. Unii-gpe63j28f0

    19. Unii-2mtw8ysx8g

    20. Oxodipine [who-dd]

    21. 5-o-ethyl 3-o-methyl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

    22. Schembl332244

    23. Unii-7t54300ums

    24. Iqb-837v

    25. Chembl2105319

    26. Dtxsid50869063

    27. 3,5-pyridinedicarboxylic Acid, 1,4-dihydro-4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-, Ethyl Methyl Ester

    28. Q7115729

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 359.4 g/mol
    Molecular Formula C19H21NO6
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass359.13688739 g/mol
    Monoisotopic Mass359.13688739 g/mol
    Topological Polar Surface Area83.1 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity652
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Calcium Channel Blockers

    A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)

    4.2 Metabolism/Metabolites

    Oxodipine has known human metabolites that include Oxodipine(m1) and Oxodipine(m2).

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560