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    Chemistry

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    Also known as: Efical, 31377-05-6, 7y2lvu5ekk, Calcium;(2s)-5-oxopyrrolidine-2-carboxylate, Unii-7y2lvu5ekk, Einecs 250-602-4
    Molecular Formula
    C10H12CaN2O6
    Molecular Weight
    296.29  g/mol
    InChI Key
    YQFZERWESBDNRJ-QHTZZOMLSA-L
    FDA UNII
    7Y2LVU5EKK
    Calcium Pidolate
    1 2D Structure

    Calcium Pidolate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(2S)-5-oxopyrrolidine-2-carboxylate
    2.1.2 InChI
    InChI=1S/2C5H7NO3.Ca/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*3-;/m00./s1
    2.1.3 InChI Key
    YQFZERWESBDNRJ-QHTZZOMLSA-L
    2.1.4 Canonical SMILES
    C1CC(=O)NC1C(=O)[O-].C1CC(=O)NC1C(=O)[O-].[Ca+2]
    2.1.5 Isomeric SMILES
    C1CC(=O)N[C@@H]1C(=O)[O-].C1CC(=O)N[C@@H]1C(=O)[O-].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    7Y2LVU5EKK
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Efical

    2. Ibercal

    3. Tepox Cal

    2.3.2 Depositor-Supplied Synonyms

    1. Efical

    2. 31377-05-6

    3. 7y2lvu5ekk

    4. Calcium;(2s)-5-oxopyrrolidine-2-carboxylate

    5. Unii-7y2lvu5ekk

    6. Einecs 250-602-4

    7. Ibercal (tn)

    8. Calcidone

    9. Calcium Pca

    10. Calcium Oxoproline

    11. L-calcium Pidolate

    12. Calcium Pca [inci]

    13. Calcium L-pyroglutamate

    14. Schembl6687532

    15. Calcium Pidolate [mart.]

    16. Calcium Pidolate [who-dd]

    17. Dtxsid501019893

    18. 5-oxo-l-proline Calcium Salt

    19. Pidolic Acid Calcium Salt (2:1)

    20. D07605

    21. L-proline, 5-oxo-, Calcium Salt (2:1)

    22. L-pyrrolidone Carboxylic Acid, Calcium Salt

    23. Proline, 5-oxo-, Calcium Salt (2:1), L-

    24. Q27269001

    2.4 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 296.29 g/mol
    Molecular Formula C10H12CaN2O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count0
    Exact Mass296.0321270 g/mol
    Monoisotopic Mass296.0321270 g/mol
    Topological Polar Surface Area139 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity149
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

    API Reference Price

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    17-Jun-2021
    13-Jun-2024
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