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    Nifekalant Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 130656-51-8, Nifekalant, Nifekalant hcl, Ms 551, Ms-551, 130636-43-0
    Molecular Formula
    C19H28ClN5O5
    Molecular Weight
    441.9  g/mol
    InChI Key
    YPVGGQKNWAKOPX-UHFFFAOYSA-N
    FDA UNII
    TPP5R0MDQS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
    2.1.2 InChI
    InChI=1S/C19H27N5O5.ClH/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29;/h5-8,14,20,25H,3-4,9-13H2,1-2H3;1H
    2.1.3 InChI Key
    YPVGGQKNWAKOPX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    TPP5R0MDQS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,3-dimethyl-6-((2-(n-(2-hydroxyethyl)-3-(4-nitrophenyl)propylamino)ethylamino)-2,4(1h),3h)-pyrimidinedione Hydrochloride

    2. Ms 551

    3. Ms-551

    4. Nifekalant

    2.3.2 Depositor-Supplied Synonyms

    1. 130656-51-8

    2. Nifekalant

    3. Nifekalant Hcl

    4. Ms 551

    5. Ms-551

    6. 130636-43-0

    7. Tpp5r0mdqs

    8. Shinbit

    9. Dsstox_cid_26495

    10. Dsstox_rid_81665

    11. Dsstox_gsid_46495

    12. 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

    13. Nifekalant Hydrochloride (jan)

    14. Smr000466369

    15. Cas-130636-43-0

    16. Unii-tpp5r0mdqs

    17. Ncgc00164637-01

    18. Shinbit (tn)

    19. 1,3-dimethyl-6-((2-(n-(2-hydroxyethyl)-3-(4-nitrophenyl)propylamino)ethylamino)-2,4(1h),3h)-pyrimidinedione Hcl

    20. Mls000759497

    21. Mls001401449

    22. Mls006010783

    23. Schembl243693

    24. Chembl553090

    25. Dtxsid7048374

    26. Chebi:31909

    27. Hy-b0772a

    28. 2,4(1h,3h)-dione Hydrochloride

    29. Bcp12511

    30. Tox21_112254

    31. Nifekalant Hydrochloride [mi]

    32. Akos015900502

    33. Tox21_112254_1

    34. Ac-3499

    35. Ccg-100897

    36. Nc00147

    37. Ncgc00164637-02

    38. Nifekalant Hydrochloride [who-dd]

    39. 2,4(1h,3h)-pyrimidinedione, 6-((2-((2-hydroxyethyl)(3-(4-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyl-, Monohydrochloride

    40. Amino)ethylamino)-1,3-dimethylpyrimidine-

    41. Nifekalant Hydrochloride, >=98% (hplc)

    42. Db-041979

    43. Cs-0014293

    44. Ft-0631132

    45. D01856

    46. 656n518

    47. A806121

    48. 6-(2-((2-hydroxyethyl)(3-(4-nitrophenyl)propyl)

    49. J-005843

    50. Q27290131

    51. Benzoic Acid,4-(2-aminoethyl)-,1,1-dimethylethyl Ester

    52. 6-(2-((2-hydroxyethyl)(3-(4-nitrophenyl)propyl)amino)ethylamino)-1,3-dimethylpyrimidine-2,4(1h,3h)-dione Hydrochloride

    53. 6-(2-(2-hydroxyethyl-(3-(4-nitrophenyl)propyl)amino)ethyl Amino)-1,3-dimethylpyrimidine-2,4-dione Hcl

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 441.9 g/mol
    Molecular Formula C19H28ClN5O5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count10
    Exact Mass441.1778967 g/mol
    Monoisotopic Mass441.1778967 g/mol
    Topological Polar Surface Area122 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity613
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Arrhythmia Agents

    Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)