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

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    Aerosporin

    APIs // Active Pharmaceutical Ingredients

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    DIGITAL CONTENT

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    2D Structure
    1. Also known as: Polymyxin b, sulfate (salt), 1405-20-5, Polymixin b sulphate, Ks-1428, Pmb, Akos025392172
    Molecular Formula
    C56H100N16O17S
    Molecular Weight
    1301.6  g/mol
    InChI Key
    HFMDLUQUEXNBOP-OLYKAHIFSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;sulfuric acid
    2.1.2 InChI
    InChI=1S/C56H98N16O13.H2O4S/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79;1-5(2,3)4/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80);(H2,1,2,3,4)/t32?,33-,34-,36+,37+,38-,39+,40+,41+,42+,43-,45+,46+;/m1./s1
    2.1.3 InChI Key
    HFMDLUQUEXNBOP-OLYKAHIFSA-N
    2.1.4 Canonical SMILES
    CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)C(C)O.OS(=O)(=O)O
    2.1.5 Isomeric SMILES
    CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O.OS(=O)(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Polymyxin B, Sulfate (salt)

    2. 1405-20-5

    3. Polymixin B Sulphate

    4. Ks-1428

    5. Pmb

    6. Akos025392172

    7. Polymyxin B Sulfate, Bacillus Polymyxa

    8. M02428

    9. Polymyxin B Sulfate (1404-26-8 Free Base)

    10. 405p205

    2.3 Create Date
    2010-12-22
    3 Chemical and Physical Properties
    Molecular Weight 1301.6 g/mol
    Molecular Formula C56H100N16O17S
    Hydrogen Bond Donor Count20
    Hydrogen Bond Acceptor Count22
    Rotatable Bond Count29
    Exact Mass1300.71730696 g/mol
    Monoisotopic Mass1300.71730696 g/mol
    Topological Polar Surface Area574 Ų
    Heavy Atom Count90
    Formal Charge0
    Complexity2240
    Isotope Atom Count0
    Defined Atom Stereocenter Count12
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NamePolymyxin b sulfate
    Drug LabelPolymyxin B for Injection, USP is one of a group of basic polypeptide antibiotics derived from B polymyxa (B aerosporous). Polymyxin B sulfate is the sulfate salt of Polymyxins B1 and B2, which are produced by the growth of Bacillus polymyxa (Prazmow...
    Active IngredientPolymyxin b sulfate
    Dosage FormInjectable
    RouteInjection
    Strengtheq 500,000 u base/vial
    Market StatusPrescription
    CompanyX Gen Pharms; Xellia Pharms Aps; Fresenius Kabi Usa; Eurohlth Intl

    2 of 2  
    Drug NamePolymyxin b sulfate
    Drug LabelPolymyxin B for Injection, USP is one of a group of basic polypeptide antibiotics derived from B polymyxa (B aerosporous). Polymyxin B sulfate is the sulfate salt of Polymyxins B1 and B2, which are produced by the growth of Bacillus polymyxa (Prazmow...
    Active IngredientPolymyxin b sulfate
    Dosage FormInjectable
    RouteInjection
    Strengtheq 500,000 u base/vial
    Market StatusPrescription
    CompanyX Gen Pharms; Xellia Pharms Aps; Fresenius Kabi Usa; Eurohlth Intl

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