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    Piroxicam-Beta-Cyclodextrin

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 130Xls

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    2D Structure
    Also known as: Piroxicambeta-cyclodextrin, 121696-62-6, 96684-39-8, Piroxicam mixture with beta-cyclodextrin, Chf 1194, Chf-1194
    Molecular Formula
    C57H83N3O39S
    Molecular Weight
    1466.3  g/mol
    InChI Key
    LBPBSKKEZXLVBQ-ZQOBQRRWSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-16,2-benzothiazine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C42H70O35.C15H13N3O4S/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h8-63H,1-7H2;2-9,19H,1H3,(H,16,17,20)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-;/m1./s1
    2.1.3 InChI Key
    LBPBSKKEZXLVBQ-ZQOBQRRWSA-N
    2.1.4 Canonical SMILES
    CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3.C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O
    2.1.5 Isomeric SMILES
    CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3.C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Chf 1194

    2. Chf-1194

    2.2.2 Depositor-Supplied Synonyms

    1. Piroxicambeta-cyclodextrin

    2. 121696-62-6

    3. 96684-39-8

    4. Piroxicam Mixture With Beta-cyclodextrin

    5. Chf 1194

    6. Chf-1194

    7. Piroxicam-

    8. A-cyclodextrin

    9. Schembl123958

    10. Schembl1649802

    11. Piroxicam-

    12. A-cyclodextrin(x:1)

    13. Dtxsid60242388

    14. Piroxicam-

    15. A-cyclodextrin Complex

    16. Beta-cyclodextrin, Compd. With 4-hydroxy-2-methyl-n-2-pyridinyl-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide

    2.3 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 1466.3 g/mol
    Molecular Formula C57H83N3O39S
    Hydrogen Bond Donor Count23
    Hydrogen Bond Acceptor Count41
    Rotatable Bond Count9
    Exact Mass1465.4324410 g/mol
    Monoisotopic Mass1465.4324410 g/mol
    Topological Polar Surface Area662 Ų
    Heavy Atom Count100
    Formal Charge0
    Complexity2090
    Isotope Atom Count0
    Defined Atom Stereocenter Count35
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    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.)