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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
    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 Weight 227.73 g/mol
    Molecular Formula C12H18ClNO
    XLogP32.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass227.1076919 g/mol
    Monoisotopic Mass227.1076919 g/mol
    Topological Polar Surface Area32.3 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity191
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Episodic wheeze, Asthma

    5 Pharmacology and Biochemistry
    5.1 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.)

    5.2 ATC Code

    R - Respiratory system

    R03 - Drugs for obstructive airway diseases

    R03A - Adrenergics, inhalants

    R03AC - Selective beta-2-adrenoreceptor agonists

    R03AC11 - Tulobuterol

    R - Respiratory system

    R03 - Drugs for obstructive airway diseases

    R03C - Adrenergics for systemic use

    R03CC - Selective beta-2-adrenoreceptor agonists

    R03CC11 - Tulobuterol

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