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Denopamine

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Chemistry

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Also known as: 71771-90-9, R(-)-denopamine, Kalgut, Ta 064, Ta-064, 4-[(1r)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol

Molecular Formula

C₁₈H₂₃NO₄

Molecular Weight

317.4 g/mol

InChI Key

VHSBBVZJABQOSG-INIZCTEOSA-N

FDA UNII

V5F60UPD8P

1 2D Structure

Denopamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol

2.1.2 InChI

InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1

2.1.3 InChI Key

VHSBBVZJABQOSG-INIZCTEOSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)CCNCC(C2=CC=C(C=C2)O)O)OC

2.1.5 Isomeric SMILES

COC1=C(C=C(C=C1)CCNC[C@@H](C2=CC=C(C=C2)O)O)OC

2.2 Other Identifiers

2.2.1 UNII

V5F60UPD8P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (3,4-dimethoxyphenethylaminomethyl)-4-hydroxybenzyl Alcohol

2. 1-(p-hydroxyphenyl)-2-((3,4-dimethoxyphenethyl)amino)ethanol

3. Ta 064

4. Ta-064

2.3.2 Depositor-Supplied Synonyms

1. 71771-90-9

2. R(-)-denopamine

3. Kalgut

4. Ta 064

5. Ta-064

6. 4-[(1r)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol

7. V5f60upd8p

8. Chembl493682

9. Denopamina

10. Denopaminum

11. 4-[(1r)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxy-ethyl]phenol

12. Benzenemethanol, A-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-4-hydroxy-,(ar)-

13. Denopaminum [latin]

14. Kalgut (tn)

15. Denopamina [spanish]

16. Denopamine [inn:jan]

17. Unii-v5f60upd8p

18. R()-denopamine

19. Ncgc00094384-01

20. Denopamine [mi]

21. Denopamine (jan/inn)

22. Denopamine [inn]

23. Denopamine [jan]

24. Lopac-d-7815

25. Denopamine [mart.]

26. Denopamine [who-dd]

27. Dsstox_cid_25800

28. Dsstox_rid_81138

29. Dsstox_gsid_45800

30. Gtpl534

31. Schembl218640

32. Dtxsid8045800

33. Chebi:135359

34. Bcp17423

35. Zinc1552175

36. Tox21_111272

37. Bdbm50252956

38. (-)-(r)-1-(p-hydroxyphenyl)-2-((3,4-dimethoxyphenethyl)amino)ethanol

39. Benzenemethanol, Alpha-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-4-hydroxy-, (r)-

40. Ncgc00015367-01

41. Cas-71771-90-9

42. Hy-119515

43. Cs-0068617

44. R(-)-denopamine, >=98% (hplc), Powder

45. D02614

46. Dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol

47. (r)-4-(2-(3,4-dimethoxyphenethylamino)-1-hydroxyethyl)phenol

48. 4-[(1r)-2-[2-(3,4-

49. 4-[(1r)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-hydroxyethyl]phenol

50. (-)-(r)-.alpha.-(((3,4-dimethoxyphenethyl)amino)methyl)-p-hydroxybenzyl Alcohol

51. (-)-(r)-alpha-(((3,4-dimethoxyphenethyl)amino)methyl)-p-hydroxybenzyl Alcohol

2.4 Create Date

2005-12-16

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₃NO₄
Molecular Weight	317.4 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	317.16270821 g/mol
Monoisotopic Mass	317.16270821 g/mol
Topological Polar Surface Area	71 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	320
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Cardiotonic Agents

Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE). (See all compounds classified as Cardiotonic Agents.)

Adrenergic beta-Agonists

Drugs that selectively bind to and activate beta-adrenergic receptors. (See all compounds classified as Adrenergic beta-Agonists.)

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