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    Pyrrolnitrin

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

    PharmaCompass
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    2D Structure
    Also known as: Pyrrolnitrine, 1018-71-9, Pyroace, 3-chloro-4-(3-chloro-2-nitrophenyl)pyrrole, Pirrolnitrina, Pyrrolnitrinum
    Molecular Formula
    C10H6Cl2N2O2
    Molecular Weight
    257.07  g/mol
    InChI Key
    QJBZDBLBQWFTPZ-UHFFFAOYSA-N
    FDA UNII
    N0P24B6EDQ
    3-Chloro-4-(3-chloro-2-nitrophenyl)pyrrole. Antifungal antibiotic isolated from Pseudomonas pyrrocinia. It is effective mainly against Trichophyton, Microsporium, Epidermophyton, and Penicillium.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole
    2.1.2 InChI
    InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H
    2.1.3 InChI Key
    QJBZDBLBQWFTPZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl
    2.2 Other Identifiers
    2.2.1 UNII
    N0P24B6EDQ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Pyrrolnitrine

    2. 1018-71-9

    3. Pyroace

    4. 3-chloro-4-(3-chloro-2-nitrophenyl)pyrrole

    5. Pirrolnitrina

    6. Pyrrolnitrinum

    7. Nsc-107654

    8. Fr 005759

    9. Pyrollnitrin

    10. 3-chloro-4-(2'-nitro-3'-chlorophenyl)pyrrole

    11. 3-chloro-4-(3-chloro-2-nitrophenyl)-1h-pyrrole

    12. 1h-pyrrole, 3-chloro-4-(3-chloro-2-nitrophenyl)-

    13. Nsc 107654

    14. Pyrrole, 3-chloro-4-(3-chloro-2-nitrophenyl)-

    15. Nsc107654

    16. N0p24b6edq

    17. Chebi:32079

    18. 3-chloro-4-(3-chloro-2-nitro-phenyl)-1h-pyrrole

    19. Ncgc00181136-01

    20. 3-chloro-4-(3-chloro-2-nitrophenyl)pyrrole;3-chloro-4-(3-chloro-2-nitrophenyl)pyrrole

    21. Pyrrolnitrine [inn-french]

    22. Pyrrolnitrinum [inn-latin]

    23. Pirrolnitrina [inn-spanish]

    24. Pyrrolnitrin [usan:inn:jan]

    25. Einecs 213-812-7

    26. Unii-n0p24b6edq

    27. Brn 1287646

    28. Pirrolnitrin

    29. 3-chloro-4-(3'-chloro-2'-nitrophenyl)pyrrole

    30. Pyrrolnitrine;pyroace

    31. Pyrrolnitrin [mi]

    32. Pyrrolnitrin [inn]

    33. Pyrrolnitrin [jan]

    34. Pyrrolnitrin [usan]

    35. Dsstox_cid_26867

    36. Dsstox_rid_81974

    37. Dsstox_gsid_46867

    38. Schembl73199

    39. Pyrrolnitrin [mart.]

    40. 5-20-07-00373 (beilstein Handbook Reference)

    41. Chembl97972

    42. Pyrrolnitrin [who-dd]

    43. Zinc2012

    44. Dtxsid9046867

    45. Pyrrolnitrin (jp17/usan/inn)

    46. Wln: T5mj Cg Dr Cg Bnw

    47. Bcp33872

    48. Tox21_112743

    49. Nsc637277

    50. Db13603

    51. Nsc-637277

    52. Ac-32022

    53. Cas-1018-71-9

    54. Hy-133704

    55. Cs-0129743

    56. Ft-0701269

    57. Ft-0701270

    58. D01094

    59. Q371817

    60. Pyrrolnitrin From Pseudomonas Cepacia, >=98% (hplc), Solid

    61. Pyrrolnitrin;3-chloro-4-(3-chloro-2-nitrophenyl)pyrrole_hcd40

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 257.07 g/mol
    Molecular Formula C10H6Cl2N2O2
    XLogP34.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass255.9806328 g/mol
    Monoisotopic Mass255.9806328 g/mol
    Topological Polar Surface Area61.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity272
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antifungal Agents

    Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)

    4.2 ATC Code

    D - Dermatologicals

    D01 - Antifungals for dermatological use

    D01A - Antifungals for topical use

    D01AA - Antibiotics

    D01AA07 - Pyrrolnitrin