loader
Please Wait
Applying Filters...

Bora CDMO Bora CDMO

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about MolPort-001-738-728, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    MolPort-001-738-728

    APIs // Active Pharmaceutical Ingredients

    INTERMEDIATES

    DOSSIERs // Finished Dosage Forms

    RELATED EXCIPIENT COMPANIES

    EXCIPIENTS BY APPLICATIONS

    MARKET PLACE

    PATENTS

    ANALYTICAL SOLUTION(s)

    DIGITAL CONTENT

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 113617-63-3, Orbax, Nsc-758614, 660932tpy6, 1-cyclopropyl-7-[(3s,5r)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid, 3-quinolinecarboxylic acid, 1-cyclopropyl-7-[(3r,5s)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo-, rel-
    Molecular Formula
    C19H20F3N3O3
    Molecular Weight
    395.4  g/mol
    InChI Key
    QIPQASLPWJVQMH-DTORHVGOSA-N
    FDA UNII
    660932TPY6
    Orbifloxacin is a fluoroquinolone antibiotic. It is marketed by Schering-Plough Animal Health and approved for certain infections in dogs.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+
    2.1.3 InChI Key
    QIPQASLPWJVQMH-DTORHVGOSA-N
    2.1.4 Canonical SMILES
    CC1CN(CC(N1)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F
    2.1.5 Isomeric SMILES
    C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F
    2.2 Other Identifiers
    2.2.1 UNII
    660932TPY6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 113617-63-3

    2. Orbax

    3. Nsc-758614

    4. 660932tpy6

    5. 1-cyclopropyl-7-[(3s,5r)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic Acid

    6. 3-quinolinecarboxylic Acid, 1-cyclopropyl-7-[(3r,5s)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo-, Rel-

    7. Ncgc00160518-01

    8. Dsstox_cid_26201

    9. Dsstox_rid_81432

    10. Dsstox_gsid_46201

    11. 1-cyclopropyl-7-((3s,5r)-3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

    12. 1-cyclopropyl-7-[(3r,5s)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic Acid

    13. Smr000544203

    14. Cp-104354

    15. Orbifloxacin [inn]

    16. Cas-113617-63-3

    17. Sr-01000790054

    18. Orbifloxacin [usp:inn:ban]

    19. Mfcd00864858

    20. Unii-660932tpy6

    21. 1-cyclopropyl-7-((3r,5s)-3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

    22. Specplus_000366

    23. Cp 104354

    24. Orbifloxacin (usp/inn)

    25. Orbifloxacin [mi]

    26. Orbax [veterinary] (tn)

    27. Orbifloxacin [jan]

    28. Orbifloxacin Impurity Mixture

    29. Orbifloxacin [mart.]

    30. Mls000766847

    31. Mls001216436

    32. Divk1c_006462

    33. Orbifloxacin [usp-rs]

    34. Schembl125116

    35. Chembl295433

    36. Dtxsid7046201

    37. Kbio1_001406

    38. Orbifloxacin [green Book]

    39. Chebi:183823

    40. Hms2875g03

    41. Hms3264m13

    42. Pharmakon1600-01503711

    43. Orbifloxacin [usp Impurity]

    44. Bcp18829

    45. Hy-b0915

    46. Rkl10078

    47. Zinc3882891

    48. Orbifloxacin [usp Monograph]

    49. Tox21_111867

    50. Nsc758614

    51. S4150

    52. Akos015969739

    53. Tox21_111867_1

    54. Ccg-213832

    55. Cs-4384

    56. Db11443

    57. Ks-5013

    58. Nsc 758614

    59. Orbifloxacin 100 Microg/ml In Methanol

    60. Ncgc00160518-02

    61. Ncgc00160518-03

    62. Ncgc00160518-04

    63. 1-cyclopropyl-5,6,8-trifluoro-1,4-dihydro-7-(cis-3,5-dimethyl-1-piperazinyl)-4-oxo-quinoline-3-carboxylic Acid

    64. Sbi-0207085.p001

    65. Orbifloxacin 100 Microg/ml In Acetonitrile

    66. O0516

    67. D08299

    68. D91881

    69. O-2950

    70. Ab00833179_04

    71. Ab00833179_05

    72. Orbifloxacin, Vetranal(tm), Analytical Standard

    73. A803076

    74. Orbifloxacin, Antibiotic For Culture Media Use Only

    75. Q7100015

    76. Sr-01000790054-2

    77. Sr-01000790054-3

    78. Brd-k63001556-001-03-9

    79. Orbifloxacin, European Pharmacopoeia (ep) Reference Standard

    80. Orbifloxacin, United States Pharmacopeia (usp) Reference Standard

    81. 1-cyclopropyl-5,6,8-trifluoro-7-(cis-3,5-dimethyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

    82. 1-cyclopropyl-7-(cis-3,5-dimethyl-1-piperazinyl)-5,6,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

    83. 1-cyclopropyl-7-(cis-3,5-dimethyl-1-piperazinyl)-5,6,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

    84. 1-cyclopropyl-7-(cis-3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

    85. 1-cyclopropyl-7-[(3r,5s)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxo-quinoline-3-carboxylic Acid

    86. 1-cyclopropyl-7-[(3r,5s)-3,5-dimethylpiperazin-4-ium-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylate

    87. 1-cyclopropyl-7-[(3s,5r)-3,5-dimethylpiperazin-1-yl]-5,6,8-triluoro-4-oxoquinoline-3-carboxylic Acid

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 395.4 g/mol
    Molecular Formula C19H20F3N3O3
    XLogP30.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count3
    Exact Mass395.14567599 g/mol
    Monoisotopic Mass395.14567599 g/mol
    Topological Polar Surface Area72.9 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity691
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY