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    Talinolol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 57460-41-0, Cordanum, 1-(4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-3-cyclohexylurea, Talinolol [inn], 38649-73-9, Cordanum; racemic talinolol
    Molecular Formula
    C20H33N3O3
    Molecular Weight
    363.5  g/mol
    InChI Key
    MXFWWQICDIZSOA-UHFFFAOYSA-N
    FDA UNII
    3S82268BKG
    Talinolol has been investigated for the basic science of Gastrointestinal Motility Disorder.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
    2.1.2 InChI
    InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)
    2.1.3 InChI Key
    MXFWWQICDIZSOA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O
    2.2 Other Identifiers
    2.2.1 UNII
    3S82268BKG
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(4-cyclohexylureidophenoxy)-2-hydroxy-3-tert-butylaminopropane

    2. Cordanum

    3. Talinolol Acetate

    4. Talinolol Benzoate

    5. Talinolol Hydrochloride

    6. Talinolol Monoacetate

    7. Talinolol Monohydrochloride

    8. Talinolol Mononitrate

    9. Talinolol Monosalicylate

    10. Talinolol Nitrate

    11. Talinolol Oxalate

    12. Talinolol Oxalate (2:1)

    13. Talinolol Salicylate

    14. Talinolol Sulfate

    15. Talinolol Sulfate (2:1)

    16. Talinolol Tartrate (2:1), L-(+)-isomer

    17. Talinolol Tartrate, L-(+)-isomer

    18. Talinolol, (+-)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 57460-41-0

    2. Cordanum

    3. 1-(4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-3-cyclohexylurea

    4. Talinolol [inn]

    5. 38649-73-9

    6. Cordanum; Racemic Talinolol

    7. 1-{4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-3-cyclohexylurea

    8. 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea

    9. 3s82268bkg

    10. Talinolol (inn)

    11. Racemic Talinolol

    12. ( Inverted Exclamation Marka)-talinolol

    13. Ncgc00164542-01

    14. Dsstox_cid_26426

    15. Dsstox_rid_81604

    16. Dsstox_gsid_46426

    17. (+-)-talinolol

    18. Talinololum

    19. Rac Talinolol

    20. Talinololum [inn-latin]

    21. Cas-57460-41-0

    22. (+/-)-talinolol

    23. Unii-3s82268bkg

    24. 1-(4-cyclohexylureidophenoxy)-2-hydroxy-3-tert-butylaminopropane

    25. (+-)-n-cyclohexyl-n'-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)urea

    26. 1-(4-(cyclohexylureido)phenoxy)-3-(tert-butylamino)-2-propanol

    27. Talinolol [mi]

    28. 1-(3-(3-cyclohexylureido)phenoxy)-3-(tert-butylamino)-2-propanol

    29. Talinolol [mart.]

    30. Talinolol [who-dd]

    31. Schembl78047

    32. Chembl152067

    33. Gtpl4664

    34. Dtxsid6046426

    35. Chebi:135533

    36. Bcp30483

    37. Tox21_112171

    38. Bdbm50502344

    39. (+-)-1-(p-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-3-cyclohexylurea

    40. Akos003382147

    41. Tox21_112171_1

    42. At33613

    43. Db11770

    44. (+-)-1-(4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-3-cyclohexylharnstoff

    45. Urea, N-cyclohexyl-n'-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (+-)-

    46. Ncgc00164542-02

    47. Db-072303

    48. Ft-0674796

    49. D07184

    50. Sr-01000945249

    51. Q7679533

    52. Sr-01000945249-1

    53. F1905-6534

    54. N-cyclohexyl-n'-[4-(3-tert-butylamino-2-hydroxypropoxy)phenyl]urea

    55. 3-{4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-1-cyclohexylurea

    56. N-{4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-n'-cyclohexylurea

    57. N-{4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-n'-cyclohexylcarbamimidic Acid

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 363.5 g/mol
    Molecular Formula C20H33N3O3
    XLogP32.6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass363.25219192 g/mol
    Monoisotopic Mass363.25219192 g/mol
    Topological Polar Surface Area82.6 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity411
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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.)

    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.)

    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.)

    4.2 ATC Code

    C - Cardiovascular system

    C07 - Beta blocking agents

    C07A - Beta blocking agents

    C07AB - Beta blocking agents, selective

    C07AB13 - Talinolol