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    Tildipirosin

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Schembl4567037, Ncgc00483033-01
    Molecular Formula
    C41H71N3O8
    Molecular Weight
    734.0  g/mol
    InChI Key
    HNDXPZPJZGTJLJ-WNHWIXIRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-(2-piperidin-1-ylethyl)-15-(piperidin-1-ylmethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
    2.1.2 InChI
    InChI=1S/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3/b16-15+,27-23+/t28-,29+,30?,31+,32-,34-,35-,37?,38?,39?,40-,41?/m1/s1
    2.1.3 InChI Key
    HNDXPZPJZGTJLJ-WNHWIXIRSA-N
    2.1.4 Canonical SMILES
    CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CCCCC3)C)C)CN4CCCCC4
    2.1.5 Isomeric SMILES
    CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CCCCC3)C)\C)CN4CCCCC4
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 20,23-dipiperidinyl-mycaminosyl-tylonolide

    2.2.2 Depositor-Supplied Synonyms

    1. Schembl4567037

    2. Ncgc00483033-01

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 734.0 g/mol
    Molecular Formula C41H71N3O8
    XLogP34.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count9
    Exact Mass733.52411623 g/mol
    Monoisotopic Mass733.52411623 g/mol
    Topological Polar Surface Area132 Ų
    Heavy Atom Count52
    Formal Charge0
    Complexity1170
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count5
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    * 40-mg/ml solution for injection for pigs:

    Treatment and metaphylaxis of swine respiratory disease (SRD) associated with Actinobacillus pleuropneumoniae, Pasteurella multocida, Bordetella bronchiseptica and Haemophilus parasuis sensitive to tildipirosin.

    The presence of the disease in the herd should be confirmed before metaphylaxis is implemented.

    * 180-mg/ml solution for injection for cattle:

    For the treatment and prevention of bovine respiratory disease (BRD) associated with Mannheimia haemolytica, Pasteurella multocida and Histophilus somni sensitive to tildipirosin.

    The presence of the disease in the herd should be confirmed before preventive treatment.

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    QJ01FA