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    calcium;2-[anilino(phenyl)carbamoyl]hexanoate

    PharmaCompass
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    2D Structure
    Also known as: Eumotol, 34461-73-9, 34461-73-9 (calcium), Bumadizone calcium anhydrous, Butylmalonic acid mono(1,2-diphenylhydrazide) calcium, Calcium-n-n-butylmalonic acid n,n'-diphenylhydrazide
    Molecular Formula
    C38H42CaN4O6
    Molecular Weight
    690.8  g/mol
    InChI Key
    RKINNRASCJRSHD-UHFFFAOYSA-L
    FDA UNII
    142R7TU2TN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;2-[anilino(phenyl)carbamoyl]hexanoate
    2.1.2 InChI
    InChI=1S/2C19H22N2O3.Ca/c2*1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;/h2*4-13,17,20H,2-3,14H2,1H3,(H,23,24);/q;;+2/p-2
    2.1.3 InChI Key
    RKINNRASCJRSHD-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    142R7TU2TN
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. B 64114

    2. B-64114

    3. Bumadizone

    4. Bumadizone Calcium (2:1)

    5. Bumadizone Calcium (2:1), Hemihydrate

    6. Butylmalonic Acid Mono-(1,2-diphenylhydrazide)

    7. Desflam

    8. Eumotol

    2.3.2 Depositor-Supplied Synonyms

    1. Eumotol

    2. 34461-73-9

    3. 34461-73-9 (calcium)

    4. Bumadizone Calcium Anhydrous

    5. Butylmalonic Acid Mono(1,2-diphenylhydrazide) Calcium

    6. Calcium-n-n-butylmalonic Acid N,n'-diphenylhydrazide

    7. 142r7tu2tn

    8. Malonic Acid, Butyl-, Mono(1,2-diphenylhydrazide), Calcium Salt (2:1)

    9. Bumadizon Calcium

    10. Calcium 2-(1,2-diphenylhydrazine-1-carbonyl)hexanoate

    11. Calcium Bis(2-butyl-3-(1,2-diphenylhydrazino)-3-oxopropionate)

    12. B-64114 Co

    13. Einecs 252-048-9

    14. Unii-142r7tu2tn

    15. Bumadizone Calcium Salt

    16. Butyl-malonsaure-mono-(1,2-diphenyl-hydrazid)-calzium [german]

    17. Anhydrous Bumadizone Calcium

    18. Propanedioic Acid, Butyl-, Mono(1,2-diphenylhydrazide), Calcium Salt (2:1)

    19. Butyl-malonsaure-mono-(1,2-diphenyl-hydrazid)-calzium

    20. Schembl1648794

    21. Chebi:76123

    22. Dtxsid30956006

    23. Calcium;2-[anilino(phenyl)carbamoyl]hexanoate

    24. Q27145769

    25. Calcium Bis[2-(1,2-diphenylhydrazinecarbonyl)hexanoate]

    26. Calcium Bis{2-[(1,2-diphenylhydrazino)carbonyl]hexanoate}

    27. (+/-)-malonic Acid, Butyl-, Mono(1,2-diphenylhydrazide), Calcium Salt (2:1)

    28. Propanedioic Acid, 2-butyl-, 1-(1,2-diphenylhydrazide), Calcium Salt (2:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 690.8 g/mol
    Molecular Formula C38H42CaN4O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count14
    Exact Mass690.2730259 g/mol
    Monoisotopic Mass690.2730259 g/mol
    Topological Polar Surface Area145 Ų
    Heavy Atom Count49
    Formal Charge0
    Complexity396
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Inflammatory Agents, Non-Steroidal

    Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)