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    Technical details about Erythromycin Glucoheptonate, learn more about the structure, uses, toxicity, action, side effects and more

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    Erythromycin Glucoheptonate

    DOSSIERs // Finished Dosage Forms

    REF. STANDARDS & IMPURITIES

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    2D Structure
    1. Also known as: Schembl537014
    Molecular Formula
    C44H81NO21
    Molecular Weight
    960.1  g/mol
    InChI Key
    ZXBDZLHAHGPXIG-QFPOYMSCSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid
    2.1.2 InChI
    InChI=1S/C37H67NO13.C7H14O8/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-6,8-13H,1H2,(H,14,15)/t18-,19+,20+,21+,22-,23+,24-,25-,26+,28+,29+,30-,31+,32-,34-,35-,36-,37-;2-,3-,4+,5-,6?/m11/s1
    2.1.3 InChI Key
    ZXBDZLHAHGPXIG-QFPOYMSCSA-N
    2.1.4 Canonical SMILES
    CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O.C(C(C(C(C(C(C(=O)O)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@@H]3[C@H]([C@@H](C[C@@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.C([C@H]([C@H]([C@@H]([C@H](C(C(=O)O)O)O)O)O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl537014

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 960.1 g/mol
    Molecular Formula C44H81NO21
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count22
    Rotatable Bond Count13
    Exact Mass959.53010859 g/mol
    Monoisotopic Mass959.53010859 g/mol
    Topological Polar Surface Area353 Ų
    Heavy Atom Count66
    Formal Charge0
    Complexity1380
    Isotope Atom Count0
    Defined Atom Stereocenter Count22
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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