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    Denopamine

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 71771-90-9, R(-)-denopamine, Kalgut, Ta 064, Ta-064, 4-[(1r)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol
    Molecular Formula
    C18H23NO4
    Molecular Weight
    317.4  g/mol
    InChI Key
    VHSBBVZJABQOSG-INIZCTEOSA-N
    FDA UNII
    V5F60UPD8P
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol
    2.1.2 InChI
    InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1
    2.1.3 InChI Key
    VHSBBVZJABQOSG-INIZCTEOSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)CCNCC(C2=CC=C(C=C2)O)O)OC
    2.1.5 Isomeric SMILES
    COC1=C(C=C(C=C1)CCNC[C@@H](C2=CC=C(C=C2)O)O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    V5F60UPD8P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3,4-dimethoxyphenethylaminomethyl)-4-hydroxybenzyl Alcohol

    2. 1-(p-hydroxyphenyl)-2-((3,4-dimethoxyphenethyl)amino)ethanol

    3. Ta 064

    4. Ta-064

    2.3.2 Depositor-Supplied Synonyms

    1. 71771-90-9

    2. R(-)-denopamine

    3. Kalgut

    4. Ta 064

    5. Ta-064

    6. 4-[(1r)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol

    7. V5f60upd8p

    8. Chembl493682

    9. Denopamina

    10. Denopaminum

    11. 4-[(1r)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxy-ethyl]phenol

    12. Benzenemethanol, A-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-4-hydroxy-,(ar)-

    13. Denopaminum [latin]

    14. Kalgut (tn)

    15. Denopamina [spanish]

    16. Denopamine [inn:jan]

    17. Unii-v5f60upd8p

    18. R()-denopamine

    19. Ncgc00094384-01

    20. Denopamine [mi]

    21. Denopamine (jan/inn)

    22. Denopamine [inn]

    23. Denopamine [jan]

    24. Lopac-d-7815

    25. Denopamine [mart.]

    26. Denopamine [who-dd]

    27. Dsstox_cid_25800

    28. Dsstox_rid_81138

    29. Dsstox_gsid_45800

    30. Gtpl534

    31. Schembl218640

    32. Dtxsid8045800

    33. Chebi:135359

    34. Bcp17423

    35. Zinc1552175

    36. Tox21_111272

    37. Bdbm50252956

    38. (-)-(r)-1-(p-hydroxyphenyl)-2-((3,4-dimethoxyphenethyl)amino)ethanol

    39. Benzenemethanol, Alpha-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-4-hydroxy-, (r)-

    40. Ncgc00015367-01

    41. Cas-71771-90-9

    42. Hy-119515

    43. Cs-0068617

    44. R(-)-denopamine, >=98% (hplc), Powder

    45. D02614

    46. Dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol

    47. (r)-4-(2-(3,4-dimethoxyphenethylamino)-1-hydroxyethyl)phenol

    48. 4-[(1r)-2-[2-(3,4-

    49. 4-[(1r)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-hydroxyethyl]phenol

    50. (-)-(r)-.alpha.-(((3,4-dimethoxyphenethyl)amino)methyl)-p-hydroxybenzyl Alcohol

    51. (-)-(r)-alpha-(((3,4-dimethoxyphenethyl)amino)methyl)-p-hydroxybenzyl Alcohol

    2.4 Create Date
    2005-12-16
    3 Chemical and Physical Properties
    Molecular Weight 317.4 g/mol
    Molecular Formula C18H23NO4
    XLogP31.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass317.16270821 g/mol
    Monoisotopic Mass317.16270821 g/mol
    Topological Polar Surface Area71 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity320
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Cardiotonic Agents

    Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE). (See all compounds classified as Cardiotonic Agents.)

    Adrenergic beta-Agonists

    Drugs that selectively bind to and activate beta-adrenergic receptors. (See all compounds classified as Adrenergic beta-Agonists.)