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    Hexoprenaline

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Gynipral, Bronalin, Etoscol, 32266-10-7, Leanol, 30117-45-4
    Molecular Formula
    C22H34N2O10S
    Molecular Weight
    518.6  g/mol
    InChI Key
    GTDCHGNGVGRHQY-UHFFFAOYSA-N
    FDA UNII
    U851S9102C
    Stimulant of adrenergic beta 2 receptors. It is used as a bronchodilator, antiasthmatic agent, and tocolytic agent.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid
    2.1.2 InChI
    InChI=1S/C22H32N2O6.H2O4S/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16;1-5(2,3)4/h5-8,11-12,21-30H,1-4,9-10,13-14H2;(H2,1,2,3,4)
    2.1.3 InChI Key
    GTDCHGNGVGRHQY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O)O)O.OS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    U851S9102C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ginipral

    2. Gynipral

    3. Hexoprenaline

    4. Ipradol

    5. St 1512

    6. St-1512

    7. St1512

    8. Sulfate, Hexoprenaline

    2.3.2 Depositor-Supplied Synonyms

    1. Gynipral

    2. Bronalin

    3. Etoscol

    4. 32266-10-7

    5. Leanol

    6. 30117-45-4

    7. Delaprem

    8. Hexoprenaline Sulphate

    9. Nsc-292266

    10. St1512/so4

    11. 4,4'-[hexane-1,6-diylbis[imino(1-hydroxyethylene)]]dipyrocatechol Sulphate

    12. Dsstox_cid_26688

    13. Dsstox_rid_81822

    14. Dsstox_gsid_46688

    15. Hexoprenaline Sulfate (usan)

    16. Hexoprenalinesulphate

    17. Hexoprenaline Sulfate [usan]

    18. 4,4'-(hexane-1,6-diylbis(imino(1-hydroxyethylene)))dipyrocatechol Sulphate

    19. 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol;sulfuric Acid

    20. Cas-32266-10-7

    21. U851s9102c

    22. Ncgc00167522-01

    23. Delaprem (tn)

    24. Einecs 250-057-2

    25. 1,2-benzenediol, 4,4'-(1,6-hexanediylbis(imino(1-hydroxy-2,1-ethanediyl)))bis-, Sulfate (1:1) (salt)

    26. Schembl598186

    27. Chembl2104813

    28. Dtxsid6046688

    29. Chebi:31670

    30. Hexoprenaline Sulfate [mi]

    31. Hexoprenaline Sulfate [jan]

    32. St-1512/so4

    33. Tox21_112519

    34. Nsc292266

    35. Hexoprenaline Sulfate [mart.]

    36. Hexoprenaline Sulfate [who-dd]

    37. Tox21_112519_1

    38. Ncgc00167522-02

    39. D02396

    40. Q27290818

    41. 1, 4,4'-[1,6-hexanediylbis[imino(1-hydroxy-2,1-ethanediyl)]]bis-, Sulfate (1:1) (salt)

    42. (+/-)-.alpha.,.alpha.'-(hexamethylenebis(iminomethylene))bis(3,4-dihydroxybenzyl Alcohol) Sulfate (1:1) (salt)

    43. (+/-)-.alpha.,.alpha.'-(hexamethylenebis(iminomethylene))bis(3,4-dihydroxybenzyl Alcohol) Sulphate (1:1) (salt)

    44. 1,2-benzenediol, 4,4'-(1,6-hexanediylbis(imino(1-hydroxy-2,1-ethanediyl)))bis-, Sulphate (1:1) (salt)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 518.6 g/mol
    Molecular Formula C22H34N2O10S
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count13
    Exact Mass518.19341646 g/mol
    Monoisotopic Mass518.19341646 g/mol
    Topological Polar Surface Area228 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity499
    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

    Bronchodilator Agents

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

    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.)