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    Bunazosin Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 52712-76-2, Detantol, Bunazosin hcl, E-643, 1-(4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl)butan-1-one hydrochloride, E643
    Molecular Formula
    C19H28ClN5O3
    Molecular Weight
    409.9  g/mol
    InChI Key
    NBGBEUITCPENLJ-UHFFFAOYSA-N
    FDA UNII
    18V54TZ7U6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C19H27N5O3.ClH/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19;/h11-12H,4-10H2,1-3H3,(H2,20,21,22);1H
    2.1.3 InChI Key
    NBGBEUITCPENLJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    18V54TZ7U6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-amino-2-(4-butanoylhexahydro-1h-1,4-diazepin-1-yl)-6,7-dimethoxyquinazoline Hcl

    2. Andante

    3. Bunazocine

    4. Bunazosin

    5. E 643

    6. E-643

    7. E643

    2.3.2 Depositor-Supplied Synonyms

    1. 52712-76-2

    2. Detantol

    3. Bunazosin Hcl

    4. E-643

    5. 1-(4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl)butan-1-one Hydrochloride

    6. E643

    7. Bunazosin Hydrochloride [jan]

    8. 52712-76-2 (hcl)

    9. 18v54tz7u6

    10. E-1015

    11. Ddq (pharmaceutical)

    12. Bunazocine Hydrochloride

    13. Andante

    14. 1h-1,4-diazepine,1-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-4-(1-oxobutyl)-,monohydrochloride

    15. Ncgc00183272-01

    16. Unii-18v54tz7u6

    17. Detantol (tn)

    18. E 643

    19. 4-amino-2-(4-butanoylhexahydro-1h-1,4-diazepin-1-yl)-6,7-dimethoxyquinazoline Hydrochloride

    20. Dsstox_cid_28514

    21. Dsstox_rid_82786

    22. Dsstox_gsid_48588

    23. 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxobutyl)hexahydro-1h-1,4-diazepine Monohydrochloride

    24. Schembl349737

    25. Bunazosin Hydrochloride (jp17)

    26. Chembl3182014

    27. Dtxsid7048588

    28. Chebi:31320

    29. Bunazosin Hydrochloride [mi]

    30. Tox21_112917

    31. Akos016014364

    32. Bunazosin Hydrochloride [mart.]

    33. Bunazosin Hydrochloride [who-dd]

    34. 1h-1,4-diazepine, Hexahydro-1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxobutyl)-, Monohydrochloride

    35. Cas-52712-76-2

    36. Ft-0659022

    37. D01887

    38. E 1015

    39. A829218

    40. Q27252034

    41. 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one;hydrochloride

    42. 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one; Hydron; Chloride;bunazosin Hydrochloride

    43. 1-butanone, 1-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-1h-1,4-diazepin-1-yl)-, Hydrochloride (1:1)

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 409.9 g/mol
    Molecular Formula C19H28ClN5O3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass409.1880675 g/mol
    Monoisotopic Mass409.1880675 g/mol
    Topological Polar Surface Area93.8 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity494
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Adrenergic alpha-1 Receptor Antagonists

    Drugs that bind to and block the activation of ADRENERGIC ALPHA-1 RECEPTORS. (See all compounds classified as Adrenergic alpha-1 Receptor Antagonists.)