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Chemistry

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Also known as: 41570-61-0, 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol, Atenos, C-78 (free base), 2-chloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol, 591i9su0f7

Molecular Formula

C₁₂H₁₈ClNO

Molecular Weight

227.73 g/mol

InChI Key

YREYLAVBNPACJM-UHFFFAOYSA-N

FDA UNII

591I9SU0F7

Tulobuterol has been used in trials studying the treatment of Chronic Obstructive Pulmonary Disease.

1 2D Structure

Tulobuterol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

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

2.1.3 InChI Key

YREYLAVBNPACJM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

591I9SU0F7

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 Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 41570-61-0

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

3. Atenos

4. C-78 (free Base)

5. 2-chloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol

6. 591i9su0f7

7. Chlibamol

8. Bremax

9. Nsc-758643

10. Hokunalin (tn)

11. (+/-)-tulobuterol

12. Tulobuterolum

13. 2-chloro-alpha-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol

14. Tulobuterolum [inn-latin]

15. .alpha.-[(tert-butylamino)methyl]-o-chlorobenzyl Alcohol

16. Tulobuterol [inn:ban:jan]

17. Unii-591i9su0f7

18. .alpha.-((tert-butylamino)methyl)-o-chlorobenzyl Alcohol

19. 2-tert-butylamino-1-(2-chlorphenyl)ethanol

20. Atenos (tn)

21. Hn 078

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

23. Spectrum_001648

24. Tulobuterol [mi]

25. Spectrum2_001616

26. Spectrum3_001900

27. Spectrum4_000206

28. Spectrum5_001285

29. Tulobuterol [inn]

30. Tulobuterol [jan]

31. Tulobuterol (jp17/inn)

32. Lopac0_001149

33. Bspbio_003440

34. Kbiogr_000811

35. Kbioss_002128

36. Tulobuterol [who-dd]

37. Divk1c_000712

38. Schembl122692

39. Spbio_001651

40. Chembl1159717

41. Dtxsid7048457

42. Chebi:93856

43. Kbio1_000712

44. Kbio2_002128

45. Kbio2_004696

46. Kbio2_007264

47. Kbio3_002943

48. Ninds_000712

49. Hms2090e11

50. Hms3715j21

51. Amy11155

52. Hy-b1810

53. Bdbm50421717

54. Mfcd00867022

55. Akos010122688

56. Ccg-205223

57. Db12248

58. Nsc 758643

59. Sdccgsbi-0051116.p004

60. Idi1_000712

61. Ncgc00016034-02

62. Ncgc00016034-03

63. Ncgc00016034-09

64. Ncgc00162354-01

65. As-10998

66. Sbi-0051116.p003

67. Db-050772

68. Tulobuterol 1000 Microg/ml In Acetonitrile

69. Cs-0013856

70. Vu0244437-2

71. D02151

72. F17342

73. Ab00053692-02

74. Ab00053692_03

75. 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol #

76. 570t610

77. L013403

78. Q909353

79. 2-(tert-butylamino)-1-(2-chlorophenyl)ethan-1-ol

80. Q-201905

81. Sr-01000076165-4

82. Brd-a37441042-003-02-2

83. 2-chloro-.alpha.-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol

84. (rs)-2-tert-butylamino-1 -phenil Ethanol Monohydrochloride; O-chloro-?-[(tert-butylamino)methyl]benzyl Alcohol Hydrochloride; (+/-)-tulobuterol Hydrochloride

85. 1-(2-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanol

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₈ClNO
Molecular Weight	227.73 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	227.1076919 g/mol
Monoisotopic Mass	227.1076919 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	15
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	1