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2D Structure
Also known as: 49745-95-1, Dobutamine hcl, Dobutrex, Inotrex, Dobutamine (hydrochloride), Dl-dobutamine hydrochloride
Molecular Formula
C18H24ClNO3
Molecular Weight
337.8  g/mol
InChI Key
BQKADKWNRWCIJL-UHFFFAOYSA-N
FDA UNII
0WR771DJXV

A catecholamine derivative with specificity for BETA-1 ADRENERGIC RECEPTORS. It is commonly used as a cardiotonic agent after CARDIAC SURGERY and during DOBUTAMINE STRESS ECHOCARDIOGRAPHY.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride
2.1.2 InChI
InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H
2.1.3 InChI Key
BQKADKWNRWCIJL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.Cl
2.2 Other Identifiers
2.2.1 UNII
0WR771DJXV
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Dobucor

2. Dobuject

3. Dobutamin Fresenius

4. Dobutamin Hexal

5. Dobutamin Ratiopharm

6. Dobutamin Solvay

7. Dobutamin-ratiopharm

8. Dobutamina Inibsa

9. Dobutamina Rovi

10. Dobutamine

11. Dobutamine (+)-isomer

12. Dobutamine Hydrobromide

13. Dobutamine Lactobionate

14. Dobutamine Phosphate (1:1) Salt, (-)-isomer

15. Dobutamine Tartrate

16. Dobutamine Tartrate (1:1), (r-(r*,r*))-isomer

17. Dobutamine Tartrate (1:1), (s-(r*,r*))-isomer

18. Dobutamine, (-)-isomer

19. Dobutamine, Phosphate (1:1) Salt (+)-isomer

20. Dobutrex

21. Hydrobromide, Dobutamine

22. Hydrochloride, Dobutamine

23. Lactobionate, Dobutamine

24. Lilly 81929

25. Oxiken

26. Posiject

27. Tartrate, Dobutamine

2.3.2 Depositor-Supplied Synonyms

1. 49745-95-1

2. Dobutamine Hcl

3. Dobutrex

4. Inotrex

5. Dobutamine (hydrochloride)

6. Dl-dobutamine Hydrochloride

7. 52663-81-7

8. Nsc-299583

9. Rac Dobutamine Hydrochloride

10. 0wr771djxv

11. 1,2-benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, Hydrochloride (1:1)

12. 49745-95-1 (hcl)

13. 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol Hydrochloride

14. 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride

15. (+-)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol Hydrochloride

16. Chebi:4671

17. 4-(2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol Hydrochloride

18. Smr000058435

19. Dobutamina Clorhidrato [spanish]

20. Sr-01000075265

21. Ly 81929

22. Einecs 256-464-1

23. Unii-0wr771djxv

24. Nsc 299583

25. Ly 46236

26. Posiject

27. 1,2-benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, Hydrochloride

28. 1,2-benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, Hydrochloride

29. 4-(2-(4-(4-hydroxyphenyl)butan-2-ylamino)ethyl)benzene-1,2-diol Hydrochloride

30. 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol Hydrochloride

31. S-1000

32. Dobutrex (tn)

33. 1,2-benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, Hydrochloride (1:1)

34. Prestwick_741

35. Mfcd00153795

36. 1,2-benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-

37. Dobutamine Hydrochloride In Dextrose 5%

38. Dobutamine Hydrochloride [usan:usp:ban:jan]

39. Schembl41609

40. 1,2-benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, Hydrochloride, (+-)-

41. Mls000860012

42. Mls001332503

43. Mls001332504

44. Mls002222253

45. Regid_for_cid_65324

46. Chembl1200418

47. Dtxsid30964383

48. Dobutamine Hydrochloride, >=98%

49. Dobutamine Hydrochloride In Dextrose 5% In Plastic Container

50. Hms1569g05

51. Bcp13026

52. Tox21_500365

53. Dobutamine Hydrochloride [mi]

54. Nsc299583

55. Dobutamine Hydrochloride (jp17/usp)

56. Dobutamine Hydrochloride [jan]

57. Akos015907731

58. Ccg-220352

59. Ccg-221669

60. Dobutamine Hydrochloride [usan]

61. Ks-1050

62. Lp00365

63. (.+-.)-4-[2-[[3-(p-hydroxyphenyl)-1-methylpropyl]amino]ethyl]pyrocatechol Hydrochloride

64. 4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatecholhydrochloride

65. Dobutamine Hydrochloride [mart.]

66. Dobutamine Hydrochloride [who-dd]

67. Ncgc00093799-01

68. Ncgc00093799-02

69. Ncgc00261050-01

70. Ac-11653

71. Hy-15746

72. Ly-46236

73. Db-051684

74. D4335

75. Eu-0100365

76. Ft-0625557

77. Ft-0681170

78. Dobutamine Hydrochloride [ep Impurity]

79. Dobutamine Hydrochloride [orange Book]

80. D 0676

81. D00632

82. Dobutamine Hydrochloride [ep Monograph]

83. Dobutamine Hydrochloride [usp Impurity]

84. Dobutamine Hydrochloride [usp Monograph]

85. 368d042

86. A827836

87. Sr-01000075265-1

88. Sr-01000075265-3

89. Sr-01000075265-6

90. W-106009

91. Q27106435

92. Dobutamine Hydrochloride, British Pharmacopoeia (bp) Reference Standard

93. Dobutamine Hydrochloride, European Pharmacopoeia (ep) Reference Standard

94. 1, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, Hydrochloride, (.+-.)-

95. 3,4-dihydroxy-n-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenethylamine Hydrochloride

96. 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]aminoethyl-1,2-benzenediol Hydrochloride

97. Dobutamine Hydrochloride, United States Pharmacopeia (usp) Reference Standard

98. ( Inverted Question Mark)-4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-1,2-benzenediol Hydrochloride

99. (+/-)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol Hydrochloride

100. 1,2-benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, Hydrochloride, (+/-)-

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 337.8 g/mol
Molecular Formula C18H24ClNO3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass337.1444713 g/mol
Monoisotopic Mass337.1444713 g/mol
Topological Polar Surface Area72.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity305
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameDobutamine hydrochloride
Drug LabelDobutamine Hydrochloride in 5% Dextrose Injection is a sterile, nonpyrogenic solution of Dobutamine Hydrochloride, USP and Dextrose, USP in Water for Injection, USP. Dobutamine hydrochloride is chemically designated as ()-4-[2-[[3-(p-hydroxyphenyl)...
Active IngredientDobutamine hydrochloride
Dosage FormInjectable
RouteInjection
Strengtheq 12.5mg base/ml
Market StatusPrescription
CompanyHospira; Eurohlth Intl

2 of 2  
Drug NameDobutamine hydrochloride
Drug LabelDobutamine Hydrochloride in 5% Dextrose Injection is a sterile, nonpyrogenic solution of Dobutamine Hydrochloride, USP and Dextrose, USP in Water for Injection, USP. Dobutamine hydrochloride is chemically designated as ()-4-[2-[[3-(p-hydroxyphenyl)...
Active IngredientDobutamine hydrochloride
Dosage FormInjectable
RouteInjection
Strengtheq 12.5mg base/ml
Market StatusPrescription
CompanyHospira; Eurohlth Intl

5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

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.)


Adrenergic beta-1 Receptor Agonists

Compounds that bind to and activate ADRENERGIC BETA-1 RECEPTORS. (See all compounds classified as Adrenergic beta-1 Receptor Agonists.)


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.)


5.2 FDA Pharmacological Classification
5.2.1 Pharmacological Classes
beta-Adrenergic Agonist [EPC]; Adrenergic beta-Agonists [MoA]