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    Flucloxacillin Magnesium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 137Xls

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    2D Structure
    Also known as: Flucloxacillin magnesium, Flucloxacillin magnesium anhydrous, 1l80i8up9c, 40182-54-5, Floxapen (tn), Unii-1l80i8up9c
    Molecular Formula
    C38H32Cl2F2MgN6O10S2
    Molecular Weight
    930.0  g/mol
    InChI Key
    LYQDZCZZTPNAIP-VZHMHXRYSA-L
    FDA UNII
    1L80I8UP9C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    magnesium;(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
    2.1.2 InChI
    InChI=1S/2C19H17ClFN3O5S.Mg/c2*1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h2*4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;;+2/p-2/t2*13-,14+,17-;/m11./s1
    2.1.3 InChI Key
    LYQDZCZZTPNAIP-VZHMHXRYSA-L
    2.1.4 Canonical SMILES
    CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Mg+2]
    2.1.5 Isomeric SMILES
    CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Mg+2]
    2.2 Other Identifiers
    2.2.1 UNII
    1L80I8UP9C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Flucloxacillin Magnesium

    2. Flucloxacillin Magnesium Anhydrous

    3. 1l80i8up9c

    4. 40182-54-5

    5. Floxapen (tn)

    6. Unii-1l80i8up9c

    7. Dtxsid60193184

    8. Flucloxacillin Magnesium [who-dd]

    9. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 6-(((3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2s(2alpha,5alpha,6beta)), Magnesium Salt

    10. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 6-(((3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, Magnesium Complex, (2s-(2alpha,5alpha,6beta))-

    11. D08017

    12. Q27252562

    13. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 6-(((3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2s(2.alpha.,5.alpha.,6.beta.)), Magnesium Salt

    14. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 6-(((3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, Magnesium Complex, (2s-(2.alpha.,5.alpha.,6.beta.))-

    2.4 Create Date
    2009-11-09
    3 Chemical and Physical Properties
    Molecular Weight 930.0 g/mol
    Molecular Formula C38H32Cl2F2MgN6O10S2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count6
    Exact Mass928.0816870 g/mol
    Monoisotopic Mass928.0816870 g/mol
    Topological Polar Surface Area282 Ų
    Heavy Atom Count61
    Formal Charge0
    Complexity752
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3