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    Fenoterol Hydrobromide

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    2D Structure
    Also known as: 1944-12-3, Fenoterol hbr, Fenoterol (hydrobromide), Phenoterol hydrobromide, Fenoterol bromide, Chebi:31601
    Molecular Formula
    C17H22BrNO4
    Molecular Weight
    384.3  g/mol
    InChI Key
    SGZRQMALQBXAIQ-UHFFFAOYSA-N
    A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;hydrobromide
    2.1.2 InChI
    InChI=1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H
    2.1.3 InChI Key
    SGZRQMALQBXAIQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O.Br
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Berotec

    2. Berotek

    3. Fenoterol

    4. Fenoterol Hydrochloride

    5. Hydrochloride, Fenoterol

    6. P Hydroxyphenyl Orciprenaline

    7. P Hydroxyphenylorciprenaline

    8. P-hydroxyphenyl-orciprenaline

    9. P-hydroxyphenylorciprenaline

    10. Partusisten

    11. Phenoterol

    12. Th 1165a

    13. Th-1165a

    14. Th1165a

    2.2.2 Depositor-Supplied Synonyms

    1. 1944-12-3

    2. Fenoterol Hbr

    3. Fenoterol (hydrobromide)

    4. Phenoterol Hydrobromide

    5. Fenoterol Bromide

    6. Chebi:31601

    7. Partusisten

    8. Berotec

    9. 2-(3,5-dihydroxyphenyl)-2-hydroxy-2'-(4-hydroxyphenyl)-1'-methyldiethylamine Hydrobromide

    10. Dsstox_cid_25419

    11. Dsstox_rid_80867

    12. Dsstox_gsid_45419

    13. Fenoterol Bromide;th-1165a;phenoterol Hydrobromide

    14. Chembl537445

    15. 1,3-benzenediol,5-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-,hydrobromide

    16. Cas-1944-12-3

    17. Th 1165a

    18. Nsc-757811

    19. Sr-01000075873

    20. Fenoterol Hydrobromide (jan)

    21. Fenoterol Hydrobromide [jan]

    22. Fenoterol-d6

    23. Prestwick_667

    24. Berotec (tn)

    25. Ncgc00016721-01

    26. Mls001056741

    27. Schembl121549

    28. Spectrum1501007

    29. Dtxsid5045419

    30. Hy-b0976a

    31. Regid_for_cid_5702161

    32. Hms1568j06

    33. Hms1921b11

    34. Pharmakon1600-01501007

    35. Bcp28959

    36. Einecs 217-742-8

    37. Tox21_110581

    38. Tox21_500544

    39. Ccg-38987

    40. Mfcd00079288

    41. Nsc757811

    42. S5768

    43. Akos015909691

    44. Tox21_110581_1

    45. Cs-5285

    46. Ks-5090

    47. Lp00544

    48. Ncgc00015430-06

    49. Ncgc00093932-01

    50. Ncgc00093932-02

    51. Ncgc00093932-03

    52. Ncgc00093932-04

    53. Ncgc00261229-01

    54. Smr000326705

    55. Eu-0100544

    56. Ft-0668501

    57. Ft-0668502

    58. Vu0243157-4

    59. D01428

    60. F 1016

    61. J-012593

    62. Sr-01000075873-1

    63. Sr-01000075873-6

    64. Q27114503

    65. Fenoterol Hydrobromide, British Pharmacopoeia (bp) Reference Standard

    66. Fenoterol Hydrobromide, European Pharmacopoeia (ep) Reference Standard

    67. 1,3-benzenediol, 5-(1-hydroxy-2-((2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-, Hbr

    68. 1-(3,5-dihydroxy-phenyl)-2-((1-(4-hydroxybenzyl)ethyl)amino)-ethanol Hydrobromide

    69. 5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamino)ethyl)benzene-1,3-diol Hydrobromide

    70. 5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol (hbr)

    71. 5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol Hydrobromide

    72. Fenoterol For Peak Identification, European Pharmacopoeia (ep) Reference Standard

    73. 5-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]benzene-1,3-diol Hydrobromide

    74. Benzyl Alcohol, 3,5-dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)-, Hydrobromide

    2.3 Create Date
    2006-03-07
    3 Chemical and Physical Properties
    Molecular Weight 384.3 g/mol
    Molecular Formula C17H22BrNO4
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass383.07322 g/mol
    Monoisotopic Mass383.07322 g/mol
    Topological Polar Surface Area93 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity310
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Adrenergic beta-2 Receptor Agonists

    Compounds bind to and activate ADRENERGIC BETA-2 RECEPTORS. (See all compounds classified as Adrenergic beta-2 Receptor Agonists.)

    Tocolytic Agents

    Drugs that prevent preterm labor and immature birth by suppressing uterine contractions (TOCOLYSIS). Agents used to delay premature uterine activity include magnesium sulfate, beta-mimetics, oxytocin antagonists, calcium channel inhibitors, and adrenergic beta-receptor agonists. The use of intravenous alcohol as a tocolytic is now obsolete. (See all compounds classified as Tocolytic Agents.)

    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.)