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    Chemistry

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    Also known as: 123447-62-1, Pruvel, Nm441, Quisnon, Nm-441, Prulifloxacin [inn]
    Molecular Formula
    C21H20FN3O6S
    Molecular Weight
    461.5  g/mol
    InChI Key
    PWNMXPDKBYZCOO-UHFFFAOYSA-N
    FDA UNII
    J42298IESW
    Prulifloxacin
    Prulifloxacin has been investigated for the treatment of Urinary Tract Infection.
    1 2D Structure

    Prulifloxacin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)
    2.1.3 InChI Key
    PWNMXPDKBYZCOO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCN(CC4)CC5=C(OC(=O)O5)C
    2.2 Other Identifiers
    2.2.1 UNII
    J42298IESW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-fluoro-1-methyl-7-(4-(5-methyl-2-oxo-1,3-dioxelen-4-yl)methyl-1-piperazinyl)-4-oxo-4h-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic Acid

    2. Nm 441

    3. Nm-441

    4. Nm441

    2.3.2 Depositor-Supplied Synonyms

    1. 123447-62-1

    2. Pruvel

    3. Nm441

    4. Quisnon

    5. Nm-441

    6. Prulifloxacin [inn]

    7. Sword

    8. Nm 441

    9. Prulifloxacin (hydrochloride)

    10. 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)piperazin-1-yl)-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid

    11. J42298iesw

    12. Nsc-759833

    13. 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid

    14. Ncgc00164615-01

    15. Prulifloxacin 100 Microg/ml In Acetonitrile

    16. Dsstox_cid_26480

    17. Dsstox_rid_81651

    18. Dsstox_gsid_46480

    19. 1h,4h-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic Acid, 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)-1-piperazinyl)-4-oxo-

    20. 1h,4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-

    21. 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)piperazin-1-yl)-4-oxo-1h,4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid

    22. Ccris 7686

    23. Cas-123447-62-1

    24. Unii-j42298iesw

    25. Pufloxacin Dioxolil

    26. 6-fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl}-4-oxo-4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid

    27. Prulifloxacin [mi]

    28. Prulifloxacin [jan]

    29. Mls006011767

    30. Prulifloxacin [mart.]

    31. Prulifloxacin [who-dd]

    32. Chembl422648

    33. Nad-441a

    34. Opt-99

    35. Schembl1650794

    36. Dtxsid0046480

    37. Chebi:32071

    38. Bcp12727

    39. Hy-b0024

    40. Tox21_112235

    41. Bbl034010

    42. Mfcd00864847

    43. S2071

    44. Stk626148

    45. Akos005559236

    46. Nm441;af 3013

    47. Prulifloxacin (nm441, Af 3013)

    48. Tox21_112235_1

    49. Ac-2012

    50. Af 3012

    51. Db11892

    52. Nsc 759833

    53. Sb18983

    54. Ncgc00164615-02

    55. Ncgc00164615-03

    56. (+-)-7-(4-((z)-2,3-dihydroxy-2-butenyl)-1-piperazinyl)-6-fluoro-1-methyl-4-oxo-1h,4h-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic Acid, Cyclic Carbonate

    57. As-13607

    58. Smr000046722

    59. Ft-0651733

    60. P2058

    61. F20576

    62. 447p621

    63. Prulifloxacin, >=98% (perchloric Acid Titration)

    64. Sr-01000872596

    65. Prulifloxacin, Antibiotic For Culture Media Use Only

    66. Q-101929

    67. Q3924793

    68. Sr-01000872596-1

    69. Brd-a92341659-001-01-6

    70. 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-4-ium-1-yl]-4-oxo-1h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 461.5 g/mol
    Molecular Formula C21H20FN3O6S
    XLogP31
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count4
    Exact Mass461.10568470 g/mol
    Monoisotopic Mass461.10568470 g/mol
    Topological Polar Surface Area125 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity931
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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.)

    Topoisomerase II Inhibitors

    Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II. (See all compounds classified as Topoisomerase II Inhibitors.)

    4.2 ATC Code

    J - Antiinfectives for systemic use

    J01 - Antibacterials for systemic use

    J01M - Quinolone antibacterials

    J01MA - Fluoroquinolones

    J01MA17 - Prulifloxacin

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    DMF Review : N/A

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    DMF Number : 17667

    Submission : 2004-09-03

    Status : Active

    Type : II

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    Registration Number : 217MF10007

    Registrant's Address : 1-10 Kibacho, Toyama City, Toyama Prefecture

    Initial Date of Registration : 2005-05-18

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    Prulifloxacin JZ

    Registration Number : 217MF10007

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    Latest Date of Registration : 2010-10-06

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    About the Company :

    Established in 2004, Metrochem API is one of the fastest-growing APIs, pellets & intermediates manufacturers. It has 6 dedicated manufacturing facilities for its 3 core product ...

    Established in 2004, Metrochem API is one of the fastest-growing APIs, pellets & intermediates manufacturers. It has 6 dedicated manufacturing facilities for its 3 core product groups and has been approved by ISO 9001-2015, USFDA, WHO GMP, Cofepris & Japanese authorities. Metrochem’s in-depth industry knowledge, & hi-tech & advanced infrastructure, helps it provide quality products to its customers. Note: None of the products will be supplied to the countries where this could conflict with existing patents. Further, any products under patent will be offered for R&D purposes only. However, the final responsibility lies with the buyer
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