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    Tobramycin Sulfate

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 79645-27-5, Tobramycin (sulfate), 4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol sulfate, Nebramycin factor 6 (sulfate);deoxykanamycin b (sulfate), 1294492-03-7, Hms3371o08
    Molecular Formula
    C18H39N5O13S
    Molecular Weight
    565.6  g/mol
    InChI Key
    ZEUUPKVZFKBXPW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;sulfuric acid
    2.1.2 InChI
    InChI=1S/C18H37N5O9.H2O4S/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;1-5(2,3)4/h5-18,24-28H,1-4,19-23H2;(H2,1,2,3,4)
    2.1.3 InChI Key
    ZEUUPKVZFKBXPW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N.OS(=O)(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 79645-27-5

    2. Tobramycin (sulfate)

    3. 4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol Sulfate

    4. Nebramycin Factor 6 (sulfate);deoxykanamycin B (sulfate)

    5. 1294492-03-7

    6. Hms3371o08

    7. Bcp12890

    8. Akos015895163

    9. Ac-4512

    10. Ft-0652844

    11. 4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;sulfuric Acid

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 565.6 g/mol
    Molecular Formula C18H39N5O13S
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count6
    Exact Mass565.22650749 g/mol
    Monoisotopic Mass565.22650749 g/mol
    Topological Polar Surface Area351 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity691
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count14
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2