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    Oxytetracycline Calcium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

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    2D Structure
    Also known as: Calcium oxytetracycline, Oxytetracycline monocalcium, M90sj24j2x, 7179-50-2, Einecs 230-540-4, Unii-m90sj24j2x
    Molecular Formula
    C22H22CaN2O9
    Molecular Weight
    498.5  g/mol
    InChI Key
    VNXGBFNHSOJJDT-IFLJXUKPSA-L
    FDA UNII
    M90SJ24J2X
    A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES rimosus and used in a wide variety of clinical conditions.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(5S,5aR,6S,6aR,7S,10aR)-9-carbamoyl-7-(dimethylamino)-5,6,10,10a-tetrahydroxy-5-methyl-8,11-dioxo-5a,6,6a,7-tetrahydrotetracene-1,12-diolate
    2.1.2 InChI
    InChI=1S/C22H24N2O9.Ca/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);/q;+2/p-2/t12-,13-,14+,17+,21-,22+;/m1./s1
    2.1.3 InChI Key
    VNXGBFNHSOJJDT-IFLJXUKPSA-L
    2.1.4 Canonical SMILES
    CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4[O-])[O-])O)O)C(=O)N)N(C)C)O)O.[Ca+2]
    2.1.5 Isomeric SMILES
    C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4[O-])[O-])O)O)C(=O)N)N(C)C)O)O.[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    M90SJ24J2X
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bisolvomycin

    2. Geomycin

    3. Hydroxytetracycline

    4. Oxyterracin

    5. Oxyterracine

    6. Oxytetracid

    7. Oxytetracycline

    8. Oxytetracycline Anhydrous

    9. Oxytetracycline Dihydrate

    10. Oxytetracycline Hydrochloride

    11. Oxytetracycline Monohydrochloride

    12. Oxytetracycline Sulfate (2:1)

    13. Oxytetracycline, (4a Beta,5 Beta,5a Beta,12a Beta)-isomer

    14. Oxytetracycline, (5 Beta)-isomer

    15. Oxytetracycline, Anhydrous

    16. Oxytetracycline, Calcium (1:1) Salt

    17. Oxytetracycline, Disodium Salt, Dihydrate

    18. Oxytetracycline, Sodium Salt

    19. Terramycin

    2.3.2 Depositor-Supplied Synonyms

    1. Calcium Oxytetracycline

    2. Oxytetracycline Monocalcium

    3. M90sj24j2x

    4. 7179-50-2

    5. Einecs 230-540-4

    6. Unii-m90sj24j2x

    7. D05322

    8. Oxytetracycline Calcium (1:1)

    9. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, Calcium Salt (1:1), (4s-(4-alpha,4a-alpha,5-alpha,5a-alpha,6-beta,12a-alpha))-

    10. J252.983a

    11. Epa Pesticide Chemical Code 006321

    12. Q27283660

    13. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11, 12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, Calciium Salt (1:1), (4s-(4alpha,4aalpha,5alpha,6beta,12aalpha))-

    14. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, Calcium Salt (1:1), (4s,4ar,5s,5ar,6s,12as)-

    15. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, Calcium Salt (1:1), (4s-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-

    16. Calcium (5s,5ar,6s,6ar,7s,10ar)-9-carbamoyl-7-(dimethylamino)-5,6,10,10a-tetrahydroxy-5-methyl-8,11-dioxo-5a,6,6a,7-tetrahydrotetracene-1,12-diolate

    2.4 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 498.5 g/mol
    Molecular Formula C22H22CaN2O9
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count2
    Exact Mass498.0951211 g/mol
    Monoisotopic Mass498.0951211 g/mol
    Topological Polar Surface Area208 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity1000
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    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-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)