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Talinolol

Talinolol

Synopsis, Chemistry

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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

Talinolol

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 Formula	C₂₀H₃₃N₃O₃
Molecular Weight	363.5 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	363.25219192 g/mol
Monoisotopic Mass	363.25219192 g/mol
Topological Polar Surface Area	82.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	411
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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