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    Dexpropranolol

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 5051-22-9, R-(+)-propranolol, (+)-propranolol, D-propranolol, Dextropropranolol, 2r-propranolol
    Molecular Formula
    C16H21NO2
    Molecular Weight
    259.34  g/mol
    InChI Key
    AQHHHDLHHXJYJD-CQSZACIVSA-N
    FDA UNII
    PG6KY07UD7
    A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
    2.1.2 InChI
    InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
    2.1.3 InChI Key
    AQHHHDLHHXJYJD-CQSZACIVSA-N
    2.1.4 Canonical SMILES
    CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
    2.1.5 Isomeric SMILES
    CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O
    2.2 Other Identifiers
    2.2.1 UNII
    PG6KY07UD7
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Anaprilin

    2. Anapriline

    3. Avlocardyl

    4. Ay 20694

    5. Ay-20694

    6. Ay20694

    7. Betadren

    8. Dociton

    9. Hydrochloride, Propranolol

    10. Inderal

    11. Obsidan

    12. Obzidan

    13. Propanolol

    14. Propranolol

    15. Propranolol Hydrochloride

    16. Rexigen

    2.3.2 Depositor-Supplied Synonyms

    1. 5051-22-9

    2. R-(+)-propranolol

    3. (+)-propranolol

    4. D-propranolol

    5. Dextropropranolol

    6. 2r-propranolol

    7. (r)-(+)-propranolol

    8. (r)-propranolol

    9. R (+)-propanolol

    10. Dexpropranololum

    11. (+)-1-isopropylamino-3-(1-naphthyloxy)-2-propanol

    12. R(+)-propranolol

    13. (2r)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol

    14. Propranolol, (r)-

    15. Pg6ky07ud7

    16. Chebi:8736

    17. 2-propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+)-

    18. Ncgc00016429-05

    19. 2-propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (r)-

    20. 2-propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (2r)-

    21. 2-propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (r)-

    22. Dsstox_cid_25304

    23. Dsstox_rid_80790

    24. Dsstox_gsid_45304

    25. Despropranolo [dcit]

    26. Despropranolo

    27. (r)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol

    28. (2r)-1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol

    29. (2r)-3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol

    30. Mls001333595

    31. Dexpropranolol [inn:ban]

    32. Dexpropranololum [inn-latin]

    33. Cas-5051-22-9

    34. Smr000875288

    35. Einecs 225-749-2

    36. Unii-pg6ky07ud7

    37. R-propanolol

    38. Propranolol-(r)

    39. Rnp

    40. D-(+)-propranolol

    41. (r)-(+)-propanolol Hydrochloride

    42. (2r)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

    43. Tocris-0624

    44. Tocris-0835

    45. (+)-(r)-propranolol

    46. Prestwick0_001075

    47. Prestwick1_001075

    48. Prestwick2_001075

    49. Lopac-p-0884

    50. Lopac-p-8688

    51. Cas-318-98-9

    52. Dexpropranolol [inn]

    53. Schembl25255

    54. Cid_66366

    55. Bidd:gt0130

    56. Spbio_002995

    57. Chembl275742

    58. Gtpl7596

    59. Dtxsid3045304

    60. Bdbm60973

    61. Zinc20240

    62. Tox21_110435

    63. Mfcd00066275

    64. Pdsp1_000775

    65. Pdsp1_001089

    66. Pdsp2_000763

    67. Pdsp2_001073

    68. Akos025212355

    69. Tox21_110435_1

    70. Cas-839971

    71. Db03322

    72. Ncgc00015798-01

    73. Ncgc00015798-02

    74. Ncgc00015798-03

    75. Ncgc00015798-11

    76. Ncgc00016429-01

    77. Ncgc00016429-02

    78. Ncgc00016429-03

    79. Ncgc00016429-04

    80. Ncgc00016429-06

    81. Ncgc00024690-01

    82. Ncgc00024814-01

    83. Ncgc00024814-02

    84. Cas-13071-11-9

    85. Ab00514691

    86. Brd-k92830582-003-04-8

    87. Q27088458

    88. (+)-1-(isopropylamino)-3-(1-naphthyloxy)-2-propanol

    89. (2r)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol

    90. 1-(isopropylamino)-3-(1-naphthyloxy)-2-propanol, (r)-

    91. (2r)-1-(isopropylamino)-3-(1-naphthoxy)propan-2-ol;hydrochloride

    92. (2r)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 259.34 g/mol
    Molecular Formula C16H21NO2
    XLogP33
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass259.157228913 g/mol
    Monoisotopic Mass259.157228913 g/mol
    Topological Polar Surface Area41.5 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity257
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    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

    Adrenergic beta-Antagonists

    Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety. (See all compounds classified as Adrenergic beta-Antagonists.)

    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.)

    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.)

    4.2 Metabolism/Metabolites

    Dexpropranolol (propranolol) has known human metabolites that include 4-Hydroxypropranolol, 5-Hydroxypropranolol, and N-Desisopropylpropranolol.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560