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    CAS 27631-29-4

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 27631-29-4, 2,4-dichloro-6,7-dimethoxy-quinazoline, Quinazoline, 2,4-dichloro-6,7-dimethoxy-, Doxazosin impurity e, 2,4-dichloro-6,7-dimethoxy quinazoline, 2-chloro-6,7-dimethoxyquinazolin-4-yl chloride
    Molecular Formula
    C10H8Cl2N2O2
    Molecular Weight
    259.09  g/mol
    InChI Key
    DGHKCBSVAZXEPP-UHFFFAOYSA-N
    FDA UNII
    B6720H065I
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4-dichloro-6,7-dimethoxyquinazoline
    2.1.2 InChI
    InChI=1S/C10H8Cl2N2O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3
    2.1.3 InChI Key
    DGHKCBSVAZXEPP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)Cl)OC
    2.2 Other Identifiers
    2.2.1 UNII
    B6720H065I
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 27631-29-4

    2. 2,4-dichloro-6,7-dimethoxy-quinazoline

    3. Quinazoline, 2,4-dichloro-6,7-dimethoxy-

    4. Doxazosin Impurity E

    5. 2,4-dichloro-6,7-dimethoxy Quinazoline

    6. 2-chloro-6,7-dimethoxyquinazolin-4-yl Chloride

    7. Mfcd00051733

    8. B6720h065i

    9. Unii-b6720h065i

    10. Doxazosin Mesilate Impurity E [ep]

    11. Usp Doxazosin Related Compound E [usp]

    12. Quinazoline,2,4-dichloro-6,7-dimethoxy-

    13. Usp Doxazosin Related Compound E Rs [usp]

    14. Schembl294809

    15. Amy261

    16. Dtxsid00182012

    17. Bcp23048

    18. Cs-m1592

    19. Doxazosin Related Compound E

    20. Zinc2028663

    21. Stl083707

    22. 2,4-dichloro6,7-dimethoxyquinazoline

    23. 2,4-dichloro-6,7-dimetoxyquinazoline

    24. Akos005712503

    25. 2,4-dichloro-6,7-dimethoxyquinozoline

    26. Ac-6745

    27. Bs-4751

    28. Ds-1542

    29. Sb21612

    30. 2.4-dichloro-6,7-dimethoxy Quinazoline

    31. Sy016557

    32. Db-047253

    33. A5335

    34. Bb 0301268

    35. D3746

    36. Ft-0610022

    37. 2,4-dichloro-6,7-dimethoxyquinazoline, 97%

    38. Doxazosin Related Compound E [usp-rs]

    39. Ab00086426-01

    40. An-829/25042010

    41. Sr-01000210320

    42. 2,4-dichloro-6-methoxy-7-quinazolinyl Methyl Ether

    43. Doxazosin Mesilate Impurity E [ep Impurity]

    44. J-016829

    45. Sr-01000210320-1

    46. Q27274421

    47. Usp Doxazosin Related Compound E [usp Impurity]

    48. Doxazosin Related Compound E, United States Pharmacopeia (usp) Reference Standard

    49. Usp Doxazosin Related Compound E; Doxazosin Ep Impurity E; 2-chloro-6,7-dimethoxyquinazolin-4-yl Chloride

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 259.09 g/mol
    Molecular Formula C10H8Cl2N2O2
    XLogP33.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass257.9962829 g/mol
    Monoisotopic Mass257.9962829 g/mol
    Topological Polar Surface Area44.2 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity245
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1