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    Tylosin Tartrate
    Also known as: Pharmasin, Tylosin tartrate, 1405-54-5, Schembl14973663
    Molecular Formula
    C50H83NO23
    Molecular Weight
    1066.2  g/mol
    InChI Key
    ICVKYYINQHWDLM-YLNALPTESA-N
    Macrolide antibiotic obtained from cultures of Streptomyces fradiae. The drug is effective against many microorganisms in animals but not in humans.
    1 2D Structure

    Tylosin Tartrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R)-2,3-dihydroxybutanedioic acid;2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
    2.1.2 InChI
    InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30?,32-,33-,35+,36-,37-,38-,39?,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1
    2.1.3 InChI Key
    ICVKYYINQHWDLM-YLNALPTESA-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)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    CC[C@@H]1C(/C=C(/C=C/C(=O)[C@@H](C[C@@H](C([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Fradizine

    2. Hydrochloride, Tylosin

    3. Tartrate, Tylosin

    4. Tylan

    5. Tylosin

    6. Tylosin Hydrochloride

    7. Tylosin Tartrate

    8. Tylosin Tartrate (salt)

    9. Tylosine

    2.2.2 Depositor-Supplied Synonyms

    1. Pharmasin

    2. Tylosin Tartrate

    3. 1405-54-5

    4. Schembl14973663

    2.3 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 1066.2 g/mol
    Molecular Formula C50H83NO23
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count24
    Rotatable Bond Count16
    Exact Mass1065.53558789 g/mol
    Monoisotopic Mass1065.53558789 g/mol
    Topological Polar Surface Area354 Ų
    Heavy Atom Count74
    Formal Charge0
    Complexity1700
    Isotope Atom Count0
    Defined Atom Stereocenter Count21
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count2
    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.)

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