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    Tulathromycin

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

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    PATENTS & EXCLUSIVITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 2,820Xls

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    2D Structure
    Also known as: Cp 472,295
    Molecular Formula
    C41H79N3O12
    Molecular Weight
    806.1  g/mol
    InChI Key
    GUARTUJKFNAVIK-KMKQSXFFSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4R,5R,8R,10R,12S,13S)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
    2.1.2 InChI
    InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26?,27-,28+,29+,30-,31+,32-,33+,34-,35?,37+,38-,39-,40-,41+/m1/s1
    2.1.3 InChI Key
    GUARTUJKFNAVIK-KMKQSXFFSA-N
    2.1.4 Canonical SMILES
    CCCNCC1(C(OC(CC1(C)OC)OC2C(C(C(CC(CNC(C(C(C(OC(=O)C2C)CC)(C)O)O)C)C)(C)O)OC3C(C(CC(O3)C)N(C)C)O)C)C)O
    2.1.5 Isomeric SMILES
    CCCNC[C@@]1([C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H](C([C@](C[C@H](CN[C@@H]([C@H]([C@]([C@H](OC(=O)C2C)CC)(C)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Cp 472,295

    2.3 Create Date
    2012-03-21
    3 Chemical and Physical Properties
    Molecular Weight 806.1 g/mol
    Molecular Formula C41H79N3O12
    XLogP33.8
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count11
    Exact Mass805.56637496 g/mol
    Monoisotopic Mass805.56637496 g/mol
    Topological Polar Surface Area201 Ų
    Heavy Atom Count56
    Formal Charge0
    Complexity1240
    Isotope Atom Count0
    Defined Atom Stereocenter Count16
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1