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    Technical details about Calcium Monoethyl Fumarate, learn more about the structure, uses, toxicity, action, side effects and more

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    Calcium Monoethyl Fumarate

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 62008-22-4, Fumaric acid monoethyl ester calcium salt, Calcium;(e)-4-ethoxy-4-oxobut-2-enoate, 37sbe2s23q, Calcium (e)-4-ethoxy-4-oxobut-2-enoate, Monoethyl fumarate calcium
    Molecular Formula
    C12H14CaO8
    Molecular Weight
    326.31  g/mol
    InChI Key
    WOONQYHBMBCNDD-SYWGCQIGSA-L
    FDA UNII
    37SBE2S23Q
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(E)-4-ethoxy-4-oxobut-2-enoate
    2.1.2 InChI
    InChI=1S/2C6H8O4.Ca/c2*1-2-10-6(9)4-3-5(7)8;/h2*3-4H,2H2,1H3,(H,7,8);/q;;+2/p-2/b2*4-3+;
    2.1.3 InChI Key
    WOONQYHBMBCNDD-SYWGCQIGSA-L
    2.1.4 Canonical SMILES
    CCOC(=O)C=CC(=O)[O-].CCOC(=O)C=CC(=O)[O-].[Ca+2]
    2.1.5 Isomeric SMILES
    CCOC(=O)/C=C/C(=O)[O-].CCOC(=O)/C=C/C(=O)[O-].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    37SBE2S23Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ethyl Fumarate

    2. Ethyl Fumarate, 2 Copper Salt

    3. Ethyl Fumarate, 2 Ferrium Salt

    4. Ethyl Fumarate, Calcium Salt

    5. Ethyl Fumarate, Lithium Salt

    6. Ethyl Fumarate, Maganeese Salt

    7. Ethyl Fumarate, Sodium Salt

    8. Ethyl Fumarate, Zinc Salt

    9. Ethylhydrogenfumarate

    10. Fumaric Acid Monoethyl Ester

    11. Monoethyl Fumarate

    12. Zinc Monoethylfumarate

    2.3.2 Depositor-Supplied Synonyms

    1. 62008-22-4

    2. Fumaric Acid Monoethyl Ester Calcium Salt

    3. Calcium;(e)-4-ethoxy-4-oxobut-2-enoate

    4. 37sbe2s23q

    5. Calcium (e)-4-ethoxy-4-oxobut-2-enoate

    6. Monoethyl Fumarate Calcium

    7. Nsc-103366

    8. Nsc-245297

    9. Calcium Diethyl Difumarate

    10. Unii-37sbe2s23q

    11. Einecs 263-369-9

    12. Monoethyl Trans-2-butenedioate Calcium Salt

    13. Bis[3-(ethoxycarbonyl)acrylic Acid]calcium Salt

    14. Ethyl Fumarate Calcium

    15. (2e)-2-butenedioic Acid 1-ethyl Ester Calcium Salt

    16. Schembl1904369

    17. Schembl1904374

    18. Ethyl Hydrogenfumarate-calcium

    19. Nsc 103366

    20. Nsc 245297

    21. Calcium(e)-4-ethoxy-4-oxobut-2-enoate

    22. Calcium Monoethylfumarate [who-dd]

    23. Bis[(e)-3-(ethoxycarbonyl)propenoic Acid]calcium Salt

    24. Q27256700

    25. 2-butenedioic Acid (2e)-, 1-ethyl Ester, Calcium Salt (2:1)

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 326.31 g/mol
    Molecular Formula C12H14CaO8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass326.0314583 g/mol
    Monoisotopic Mass326.0314583 g/mol
    Topological Polar Surface Area133 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity154
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Dermatologic Agents

    Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic Agents.)

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