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    Isepamicin Sulfate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: Isepamicin sulfate, 67814-76-0, Hapa-b sulfate, Sch 21420 sulfate, (2s)-3-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2r,3r,4r,5r)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide;sulfate, 1-n-(s-3-amino-2-hydroxypropionyl)-gentamicin b sulfate
    Molecular Formula
    C22H43N5O16S-2
    Molecular Weight
    665.7  g/mol
    InChI Key
    DDXRHRXGIWOVDQ-MGAUJLSLSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide;sulfate
    2.1.2 InChI
    InChI=1S/C22H43N5O12.H2O4S/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21;1-5(2,3)4/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34);(H2,1,2,3,4)/p-2/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-;/m0./s1
    2.1.3 InChI Key
    DDXRHRXGIWOVDQ-MGAUJLSLSA-L
    2.1.4 Canonical SMILES
    CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O.[O-]S(=O)(=O)[O-]
    2.1.5 Isomeric SMILES
    C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O.[O-]S(=O)(=O)[O-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Hapa-b

    2. Ispalline

    3. Isepamicin

    4. Isepamicin Disulfate

    5. Isepamicin Monosulfate

    6. Isepamicin Sulfate

    7. N-(s-3-amino-2-hydroxypropionyl)gentamicin

    8. Sch 21420

    9. Sch-21420

    2.2.2 Depositor-Supplied Synonyms

    1. Isepamicin Sulfate

    2. 67814-76-0

    3. Hapa-b Sulfate

    4. Sch 21420 Sulfate

    5. (2s)-3-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2r,3r,4r,5r)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide;sulfate

    6. 1-n-(s-3-amino-2-hydroxypropionyl)-gentamicin B Sulfate

    7. D-streptamine, O-6-amino-6-deoxy-alpha-d-glucopyranosyl-(1-4)-o-(3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl-(1-6))-n(sup 1)-(3-amino-2-hydroxy-1-oxopropyl)-2-deoxy-, (s)-, Sulfate (salt)

    8. (s)-y-1-oxopropyl)-2-deoxysulfate(salt)

    9. A915464

    10. 3-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2r,3r,4r,5r)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide;sulfuric Acid

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 665.7 g/mol
    Molecular Formula C22H43N5O16S-2
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count20
    Rotatable Bond Count9
    Exact Mass665.24255147 g/mol
    Monoisotopic Mass665.24255147 g/mol
    Topological Polar Surface Area386 Ų
    Heavy Atom Count44
    Formal Charge-2
    Complexity880
    Isotope Atom Count0
    Defined Atom Stereocenter Count15
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    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.)