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2D Structure
Also known as: 21898-19-1, Clenbuterol hcl, Spiropent, Ventipulmin, Clenbuterol clorhidrato, Nab-365
Molecular Formula
C12H19Cl3N2O
Molecular Weight
313.6  g/mol
InChI Key
OPXKTCUYRHXSBK-UHFFFAOYSA-N
FDA UNII
GOR5747GWU

A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol;hydrochloride
2.1.2 InChI
InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H
2.1.3 InChI Key
OPXKTCUYRHXSBK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl
2.2 Other Identifiers
2.2.1 UNII
GOR5747GWU
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Clenbuterol

2. Nab 365

3. Nab-365

4. Nab365

5. Planipart

2.3.2 Depositor-Supplied Synonyms

1. 21898-19-1

2. Clenbuterol Hcl

3. Spiropent

4. Ventipulmin

5. Clenbuterol Clorhidrato

6. Nab-365

7. Nab-365cl

8. Gor5747gwu

9. 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol;hydrochloride

10. Mls000069838

11. Nab 365 Cl

12. Chebi:31410

13. Smr000058854

14. 21898-19-1 (hcl)

15. 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol Hydrochloride

16. 4-amino-alpha-(tert-butylaminomethyl)-3,5-dichlorobenzyl Alcohol Hydrochloride

17. 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl Alcohol Hydrochloride

18. Sr-01000721909

19. Contrasmina

20. Clenasma

21. Siropent

22. Spiropent (tn)

23. Prestwick_761

24. Planipart Hydrochloride

25. Clenbuterolhydrochloride

26. 4-amino-.alpha.-((tert-butylamino)methyl)-3,5-dichlorobenzyl Alcohol

27. Opera_id_146

28. Unii-gor5747gwu

29. Clenbuterol Monohydrochloride

30. Mls001148242

31. Mls002222258

32. Clenbuterol Hydrochloride,(s)

33. Schembl123545

34. Spectrum1503917

35. (+-)-clenbuterol Hydrochloride

36. Chembl1330729

37. Clenbuterol Clorhidrato [spanish]

38. Clenbuterol Hydrochloride Solution

39. Dtxsid60944496

40. Regid_for_cid_5702273

41. Clenbuterol Hydrochloride, >=95%

42. Hms1569e11

43. Pharmakon1600-01503917

44. (+-)-clenbuterol Monohydrochloride

45. Bcp13609

46. Hy-b1614

47. Einecs 244-643-7

48. Einecs 274-226-5

49. Ccg-39893

50. Clenbuterol Hydrochloride (jan/usp)

51. Clenbuterol Hydrochloride [usp:jan]

52. Mfcd00083280

53. Nsc758633

54. Clenbuterol Hydrochloride [mi]

55. Akos007930709

56. Am84776

57. Clenbuterol Hydrochloride [jan]

58. Cs-6917

59. Clenbuterol Hydrochloride [mart.]

60. Ncgc00095982-01

61. Ac-11159

62. As-12537

63. Clenbuterol Hydrochloride [usp-rs]

64. Clenbuterol Hydrochloride [who-dd]

65. Clenbuterol Hydrochloride [green Book]

66. Vu0244438-4

67. Clenbuterol Hydrochloride [ep Impurity]

68. Clenbuterol Hydrochloride [ep Monograph]

69. D01360

70. F17351

71. Clenbuterol Hydrochloride [usp Monograph]

72. Clenbuterol Hydrochloride 100 Microg/ml In Ethanol

73. Clenbuterol Hydrochloride 1000 Microg/ml In Ethanol

74. Q-200872

75. Sr-01000721909-4

76. Sr-01000721909-5

77. 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)

78. Q27114305

79. Clenbuterol Hydrochloride 1.0 Mg/ml In Dimethyl Sulfoxide (as Free Base)

80. Clenbuterol Hydrochloride, European Pharmacopoeia (ep) Reference Standard

81. (1)-4-amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl Alcohol Monohydrochloride

82. 4-amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol Hydrochloride

83. 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl Alcohol Monohydrochloride

84. 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl Alcoholmonohydrochloride

85. 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzylalkohol-hydrochlorid

86. 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzylalkohol-hydrochlorid [german]

87. Benzyl Alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichloro-, Monohydrochloride

88. Clenbuterol Hydrochloride, United States Pharmacopeia (usp) Reference Standard

89. 4-amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol Monohydrochloride

90. Clenbuterol Hydrochloride Solution, 1.0 Mg/ml In Methanol (as Free Base), Ampule Of 1 Ml, Certified Reference Material

2.4 Create Date
2006-03-07
3 Chemical and Physical Properties
Molecular Weight 313.6 g/mol
Molecular Formula C12H19Cl3N2O
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass312.056296 g/mol
Monoisotopic Mass312.056296 g/mol
Topological Polar Surface Area58.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Adrenergic beta-Agonists

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


Bronchodilator Agents

Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)


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.)