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ACTIVE PHARMA INGREDIENTS

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Also known as: 56776-01-3, Hokunalin, 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol hydrochloride, Tulobuterol hcl, Berachin, Lobuterol

Molecular Formula

C₁₂H₁₉Cl₂NO

Molecular Weight

264.19 g/mol

InChI Key

RSLNRVYIRDVHLY-UHFFFAOYSA-N

FDA UNII

VNC12181T0

1 2D Structure

Tulobuterol Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride

2.1.2 InChI

InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H

2.1.3 InChI Key

RSLNRVYIRDVHLY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)NCC(C1=CC=CC=C1Cl)O.Cl

2.2 Other Identifiers

2.2.1 UNII

VNC12181T0

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(o-chlorophenyl)-2-tert-butylaminoethanol

2. Alpha-((tert-butylamino)methyl)-o-chlorobenzyl Alcohol

3. Atenos

4. Brelomax

5. C-78

6. Hn-078

7. Tulobuterol

2.3.2 Depositor-Supplied Synonyms

1. 56776-01-3

2. Hokunalin

3. 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol Hydrochloride

4. Tulobuterol Hcl

5. Berachin

6. Lobuterol

7. Tulobuterol, Hcl

8. Tulobuterol (hydrochloride)

9. Atenos

10. C-78

11. 2-tert-butylamino-1-(2-chlorophenyl)ethanol Hydrochloride

12. Tulobuterol Hydrochloride [jan]

13. Chebi:32272

14. Vnc12181t0

15. Chlibamol

16. Bremax

17. Ncgc00094412-02

18. 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride

19. Hokunalin (tn)

20. Dsstox_cid_25805

21. Dsstox_rid_81143

22. Dsstox_gsid_45805

23. Brelomax Sirup

24. Cas-56776-01-3

25. Chlobamol Hydrochloride

26. Tulobuterolhydrochloride

27. Sr-01000076165

28. Brelomax

29. Respacal

30. Unii-vnc12181t0

31. Respacal (tn)

32. Tulobuterol Solution

33. Mfcd00214398

34. C 78

35. Schembl123786

36. Spectrum1503954

37. Tulobuterol Hydrochloride,(s)

38. Chembl1256478

39. Dtxsid3045805

40. 1-(o-chlorophenyl)-2-tert-butylamino Ethanol Hydrochloride

41. Tulobuterol Hydrochloride (jp17)

42. Hms1922o06

43. Pharmakon1600-01503954

44. Alpha-(tert-butylamino)methyl-2-chlorobenzyl Alcohol Hydrochloride

45. Bcp04486

46. Tox21_111277

47. Tox21_501149

48. Alpha-((tert-butylamino)methyl)-o-chlorobenzyl Alcohol Hydrochloride

49. Ccg-39067

50. Hn-078

51. Nsc758643

52. O-chloro-alpha-((tert-butylamino)methyl)benzylalcohol Hydrochloride

53. S6407

54. Tulobuterol Hydrochloride [mi]

55. Akos015894947

56. Benzyl Alcohol, Alpha-((tert-butylamino)methyl)-o-chloro-, Hydrochloride

57. Tox21_111277_1

58. Ab04864

59. Cs-w012449

60. Hy-w011733

61. Ks-5185

62. Lp01149

63. Benzenemethanol, 2-chloro-alpha-(((1,1-dimethylethyl)amino)methyl)-, Hydrochloride

64. Ncgc00016034-05

65. Ncgc00094412-01

66. Ncgc00094412-03

67. Ncgc00094412-04

68. Ncgc00261834-01

69. Tulobuterol Hydrochloride [mart.]

70. Bt164497

71. Tulobuterol Hydrochloride [who-dd]

72. Eu-0101149

73. Ft-0630693

74. T2954

75. D01362

76. F17341

77. T 6050

78. 776t013

79. Sr-01000076165-1

80. Sr-01000076165-5

81. Tulobuterol Hydrochloride 100 Microg/ml In Methanol

82. Q27114844

83. Tulobuterol Hydrochloride, Vetranal(tm), Analytical Standard

84. .alpha.-((tert-butylamino)methyl)-o-chlorobenzyl Alcohol Hydrochloride

85. Benzyl Alcohol, Alpha-(tert-butylamino)methyl-2-chloro-, Hydrochloride

2.4 Create Date

2006-03-07

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₉Cl₂NO
Molecular Weight	264.19 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	263.0843696 g/mol
Monoisotopic Mass	263.0843696 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	191
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	2

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.)

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