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    Celiprolol Hydrochloride

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 57470-78-7, Celiprolol hcl, Selectol, Celiprolol (hydrochloride), Celiprolol hydrochloride [usan], Celectol
    Molecular Formula
    C20H34ClN3O4
    Molecular Weight
    416.0  g/mol
    InChI Key
    VKJHTUVLJYWAEY-UHFFFAOYSA-N
    FDA UNII
    G1M3398594
    A cardioselective beta-1 adrenergic antagonist that has intrinsic sympathomimetic activity. It is used in the management of ANGINA PECTORIS and HYPERTENSION.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H
    2.1.3 InChI Key
    VKJHTUVLJYWAEY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    G1M3398594
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Celiprolol

    2. Celiprolol Monohydrochloride

    3. Celiprolol, (+,-)-isomer

    4. Celiprolol, (r)-isomer

    5. Celiprolol, (s)-isomer

    6. Celiprolol, Monohydrochloride, (r)-isomer

    7. Celiprolol, Monohydrochloride, (s)-isomer

    8. Hydrochloride, Celiprolol

    9. Monohydrochloride, Celiprolol

    10. N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-n,n-diethylurea

    11. Rev 5320a

    12. Rev-5320a

    13. Rev5320a

    14. Selectol

    15. St 1396

    16. St-1396

    17. St1396

    2.3.2 Depositor-Supplied Synonyms

    1. 57470-78-7

    2. Celiprolol Hcl

    3. Selectol

    4. Celiprolol (hydrochloride)

    5. Celiprolol Hydrochloride [usan]

    6. Celectol

    7. Nsc-324509

    8. 3-(3-acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1,1-diethylurea Hydrochloride

    9. 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea;hydrochloride

    10. Selectrol

    11. G1m3398594

    12. Dsstox_cid_26850

    13. Dsstox_rid_81959

    14. Dsstox_gsid_46850

    15. Selecor

    16. St 1396

    17. Selectol (tn)

    18. Cas-57470-78-7

    19. Ccris 1095

    20. Celiprolol Clorhidrato

    21. Celiprololhydrochloride

    22. Celiprolol Clorhidrato [spanish]

    23. Celiprolol Hydrochlorid

    24. Celiprolol Hydrochlorid [german]

    25. St-1396

    26. Clorhidrato De Celiprolol

    27. Clorhidrato De Celiprolol [spanish]

    28. Einecs 260-752-2

    29. Cordiax

    30. Unii-g1m3398594

    31. Nsc 324509

    32. Celipolol Hydrochloride

    33. Ncgc00181108-01

    34. 3-(3-acetil-4-(3-tert-butilamino-2-hidroxipropoxi)fenil)-1,1-dietilurea Hcl [spanish]

    35. 3-(3-acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1,1-diethylurea Monohydrochloride

    36. 3-(3-acetyl-4-(3-tert-butylamino-2-hydroxypropoxy)phenyl)-1,1-diethylharnstoff Hcl [german]

    37. 3-(3-acetyl-4-(3-tert-butylamino-2-hydroxypropoxy)phenyl)-1,1-diethylurea Hydrochloride

    38. Celipolol Hydrochloride,(s)

    39. Acer002

    40. Schembl349227

    41. Acer-002

    42. Chembl1742424

    43. Dtxsid0046850

    44. Chebi:31385

    45. Bcp13692

    46. Hy-b1264

    47. Tox21_112722

    48. Celiprolol Hydrochloride (jan/usan)

    49. Celiprolol Hydrochloride [mi]

    50. Mfcd00941500

    51. Nsc324509

    52. S5923

    53. Celiprolol Hydrochloride [jan]

    54. 3-(3-acetil-4-(3-tert-butilamino-2-hidroxipropoxi)fenil)-1,1-dietilurea Hcl

    55. Akos015962014

    56. Tox21_112722_1

    57. Ccg-220599

    58. 3-(3-acetyl-4-(3-((tert-butyl)amino)-2-hydroxypropoxy)phenyl)-1,1-diethyluronium Chloride

    59. 3-(3-acetyl-4-(3-tert-butylamino-2-hydroxypropoxy)phenyl)-1,1-diethylharnstoff Hcl

    60. Celiprolol Hydrochloride [mart.]

    61. Celiprolol Hydrochloride [who-dd]

    62. Ncgc00344562-01

    63. Ac-15451

    64. Urea, 3-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-1,1-diethyl-, Monohydrochloride

    65. Urea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-n,n-diethyl-, Monohydrochloride

    66. Cs-0013049

    67. Ft-0623541

    68. Ft-0664448

    69. Ft-0664449

    70. Ft-0664450

    71. Celiprolol Hydrochloride [ep Monograph]

    72. D01741

    73. F16785

    74. 470c787

    75. Sr-01000872714

    76. Sr-01000872714-1

    77. Q27278610

    78. Celiprolol Hydrochloride 1.0 Mg/ml In Methanol (as Free Base)

    79. 1-{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-3,3-diethylurea Hydrochloride

    80. 3-[3-acetyl-4-(3-tert-butylamino-2-hydroxy-propoxy)-phenyl]-1,1-diethyl-urea Hydrochloride

    81. 3-(3-acetyl-4-((3-tert-butylamino)-2-hydroxypropoxy)-phenyl)-1,1-diethylurea Hydrochloride

    82. Urea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxyphenyl)-n,n-diethyl-, Monohydrochloride

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 416.0 g/mol
    Molecular Formula C20H34ClN3O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count10
    Exact Mass415.2237843 g/mol
    Monoisotopic Mass415.2237843 g/mol
    Topological Polar Surface Area90.9 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity474
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Arrhythmia Agents

    Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)

    Sympathomimetics

    Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. (See all compounds classified as Sympathomimetics.)

    Antihypertensive Agents

    Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

    Adrenergic beta-1 Receptor Antagonists

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