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    Calcium Undecylenate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 36Xls

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    2D Structure
    Also known as: Calcium undecylenate, 1322-14-1, Cruex, Calcium;undec-10-enoate, Undecylenate calcium, 10-undecenoic acid, calcium salt
    Molecular Formula
    C22H38CaO4
    Molecular Weight
    406.6  g/mol
    InChI Key
    CLOKKBBIKHZGNX-UHFFFAOYSA-L
    FDA UNII
    77YW1RTU8V
    Calcium Undecylenate is the calcium salt of undecylenic acid, an 11 carbon mono-unsaturated fatty acid with broad-spectrum antifungal activity. Undecylenic acid inhibits the morphogenesis of Candida albicans to its invasive fungal form and inhibits the conversion of unicellular yeast to their hyphal form.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;undec-10-enoate
    2.1.2 InChI
    InChI=1S/2C11H20O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2
    2.1.3 InChI Key
    CLOKKBBIKHZGNX-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    77YW1RTU8V
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Calcium Undecylenate

    2. 1322-14-1

    3. Cruex

    4. Calcium;undec-10-enoate

    5. Undecylenate Calcium

    6. 10-undecenoic Acid, Calcium Salt

    7. 77yw1rtu8v

    8. Cal-desene

    9. 10-undecenoic Acid, Calcium Salt (2:1)

    10. Unii-77yw1rtu8v

    11. Calcium Undecylenate (usp)

    12. Calcium Undecylenate [usan:usp]

    13. Einecs 215-331-8

    14. Calcium Undecenoate

    15. Calcium (e)-undec-2-enoate

    16. Schembl359949

    17. Calcium 10-undecenoate

    18. Chembl2104130

    19. Calcium Undecylenate [inci]

    20. Calcium Undecylenate [usan]

    21. Calcium Undecenoate [mart.]

    22. Undecylenate Calcium [vandf]

    23. Bis(10-undecenoic Acid)calcium Salt

    24. Calcium Undecenoate [who-dd]

    25. 10-undecenoic Acid, Calcium(2+) Salt

    26. Calcium Undecylenate [usp Monograph]

    27. D03315

    28. A937337

    29. Q27266617

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 406.6 g/mol
    Molecular Formula C22H38CaO4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count16
    Exact Mass406.2396005 g/mol
    Monoisotopic Mass406.2396005 g/mol
    Topological Polar Surface Area80.3 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity136
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3