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    Flucloxacillin Sodium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 55Xls

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    2D Structure
    Also known as: 1847-24-1, Floxacillin sodium, Floxapen sodium, Flucloxacillin sodium salt, Floxacillin na salt, Stafopen sodium salt
    Molecular Formula
    C19H16ClFN3NaO5S
    Molecular Weight
    475.9  g/mol
    InChI Key
    OTEANHMVDHZOPB-SLINCCQESA-M
    FDA UNII
    05F65O42VK
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(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/C19H17ClFN3O5S.Na/c1-7-10(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;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1/t13-,14+,17-;/m1./s1
    2.1.3 InChI Key
    OTEANHMVDHZOPB-SLINCCQESA-M
    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-].[Na+]
    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-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    05F65O42VK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1847-24-1

    2. Floxacillin Sodium

    3. Floxapen Sodium

    4. Flucloxacillin Sodium Salt

    5. Floxacillin Na Salt

    6. Stafopen Sodium Salt

    7. Staphylex Sodium Salt

    8. Floxacillin Sodium Salt

    9. Chebi:31615

    10. 05f65o42vk

    11. Floxapen

    12. Flucloxacillin Sodium Anhydrous

    13. Sodium Flucloxacillin

    14. Floxapen (tn)

    15. Flucloxacillin-sodium

    16. Monosodium Flucloxacillin

    17. Floxacillin Sodium Anhydrous

    18. Mfi-pc

    19. Staphylex Sodium

    20. Sodium;(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

    21. Nsc277175

    22. Nsc-277175

    23. Einecs 217-428-0

    24. Nsc 277175

    25. Unii-05f65o42vk

    26. Cas-1847-24-1

    27. 5-methyl-3-(2-chloro-6-fluorophenyl)-4-isoxazolylpenicillin Sodium

    28. Dsstox_cid_25115

    29. Dsstox_rid_80681

    30. Dsstox_gsid_45115

    31. 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-, Monosodium Salt, (2s,5r,6r)-

    32. Schembl855084

    33. Chembl283053

    34. Dtxsid6045115

    35. Hy-a0246a

    36. Bcp07050

    37. Tox21_110054

    38. Mfcd01682108

    39. Akos015894891

    40. Flucloxacillin Sodium [who-dd]

    41. Ccg-269502

    42. Cs-7130

    43. Ncgc00014633-01

    44. 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-, Monosodium Salt, (2s-(2-alpha,5-alpha,6-beta))-

    45. Ac-22672

    46. As-75308

    47. Sodium (2s-(2alpha,5alpha,6beta))-6-(((3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate

    48. C73561

    49. D07965

    50. A812884

    51. W-107791

    52. Q27114512

    53. Flucloxacillin Sodium, Vetranal(tm), Analytical Standard

    54. Flucloxacillin Sodium, Antibiotic For Culture Media Use Only

    55. (2s,5r,6r)-6-(3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid,sodium Salt

    56. (2s,5r,6r)-6-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid; Sodium;(2s,5r,6r)-6-(3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid,sodium Salt

    57. 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-, Sodium Salt (2s(2.alpha.,5.alpha.,6.beta.))

    58. Sodium (2s,5r,6r)-6-(3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    59. Sodium (2s,5r,6r)-6-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    60. Sodium 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido]-2,2-dimethylpenam-3alpha-carboxylate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 475.9 g/mol
    Molecular Formula C19H16ClFN3NaO5S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass475.0380919 g/mol
    Monoisotopic Mass475.0380919 g/mol
    Topological Polar Surface Area141 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity764
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2