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    Tilmicosin Phosphate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 137330-13-3, Tilmicosin (phosphate), Tilmicosin phosphate [usan], Ly177370 phosphate, Micotil 300, Smh7u1s683
    Molecular Formula
    C46H83N2O17P
    Molecular Weight
    967.1  g/mol
    InChI Key
    NESIVXZOSKKUDP-ARVJLQODSA-N
    FDA UNII
    SMH7U1S683
    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-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione;phosphoric acid
    2.1.2 InChI
    InChI=1S/C46H80N2O13.H3O4P/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45;1-5(2,3)4/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3;(H3,1,2,3,4)/b15-14+,25-19+;/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-;/m1./s1
    2.1.3 InChI Key
    NESIVXZOSKKUDP-ARVJLQODSA-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)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC.OP(=O)(O)O
    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)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.OP(=O)(O)O
    2.2 Other Identifiers
    2.2.1 UNII
    SMH7U1S683
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 20-deoxo-20-(3,5-dimethylpiperidin-1-yl)desmycosin

    2. El 870

    3. El-870

    4. Micotil 300

    5. Tilmicosin

    2.3.2 Depositor-Supplied Synonyms

    1. 137330-13-3

    2. Tilmicosin (phosphate)

    3. Tilmicosin Phosphate [usan]

    4. Ly177370 Phosphate

    5. Micotil 300

    6. Smh7u1s683

    7. Tilmicosin Phosphate (usan)

    8. (4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2r,3r,4s,5s,6r)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3s,5r)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione;phosphoric Acid

    9. Tilmicosinphosphate

    10. Pulmotil 90

    11. Unii-smh7u1s683

    12. Tilmicosin Phosphate, Usp

    13. Schembl1184136

    14. Chembl2105782

    15. Hy-b0905a

    16. Ly-177370 Phosphate

    17. Dtxsid201019820

    18. 20-deoxo-20-(3,5-dimethyl-1-piperidinyl)desmycosin Phosphate

    19. Mfcd06797805

    20. S5573

    21. Tilmicosin Phosphate [mart.]

    22. Ccg-270598

    23. Cs-4729

    24. Tilmicosin Phosphate [green Book]

    25. 4a-o-de(2,6-dideoxy-3-c-methyl-alpha-l-ribo-hexopyranosyl)-20-deoxo-20-(cis-3,5-dimethylpiperidino)tylosin Phosphate (1:1) (salt)

    26. Tylosin, 4a-o-de(2,6-dideoxy-3-c-methyl-alpha-l-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-, (20(cis))-, Phosphate (1:1) (salt)

    27. D02493

    28. 330t133

    29. Q-201834

    30. Q27289281

    31. Tilmicosin Phosphate, Antibiotic For Culture Media Use Only

    32. (4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-{[(2r,3r,4s,5s,6r)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-{2-[(3r,5s)-3,5-dimethylpiperidin-1-yl]ethyl}-16-ethyl-4-hydroxy-15-({[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione; Phosphoric Acid

    33. 4 Sup(a)-o-de(2,6-dideoxy-3-c-methyl-.alpha.-l-ribo-hexopyranosyl)-20-deoxo-20-(cis-3,5-dimethylpiperidino)tylosin Phosphate (1:1) (salt)

    34. 4(sup A)-o-de(2,6-dideoxy-3-c-methyl-alpha-l-ribo-hexopyranosyl)-20-deoxo-20-(cis-3,5-dimethylpiperidino)tylosin Phosphate (1:1) (salt)

    35. Tylosin, 4 Sup(a)-o-de(2,6-dideoxy-3-c-methyl-.alpha.-l-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-, (20(cis))-, Phosphate (1:1) (salt)

    36. Tylosin, 4(sup A)-o-de(2,6-dideoxy-3-c-methyl-alpha-l-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-, (20(cis))-, Phosphate (1:1) (salt)

    2.4 Create Date
    2005-10-11
    3 Chemical and Physical Properties
    Molecular Weight 967.1 g/mol
    Molecular Formula C46H83N2O17P
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count19
    Rotatable Bond Count12
    Exact Mass966.54293618 g/mol
    Monoisotopic Mass966.54293618 g/mol
    Topological Polar Surface Area264 Ų
    Heavy Atom Count66
    Formal Charge0
    Complexity1470
    Isotope Atom Count0
    Defined Atom Stereocenter Count19
    Undefined Atom Stereocenter Count0
    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.)